data_1wf2_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 1wf2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -141.26 150.21 42.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 67' ' ' VAL . 56.2 t -139.58 121.11 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.72 99.15 11.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.6 mp -84.03 107.75 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.07 174.53 22.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t30 46.02 40.72 7.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.41 114.04 26.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -69.59 65.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 HG21 ' CG1' ' A' ' 48' ' ' VAL . 43.9 p -55.72 -18.11 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.21 -13.58 62.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.97 -48.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 75' ' ' ILE . 2.5 t -70.13 143.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -179.28 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.31 -43.47 56.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -63.03 -23.39 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -76.08 -32.2 59.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.61 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 91.9 t -94.51 -16.3 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.7 mt-10 -90.44 -28.4 18.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.4 -45.02 9.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.9 mt -60.76 -31.07 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.1 m-85 -92.35 -12.88 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -67.94 -10.08 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -93.41 -12.52 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 14.4 m-85 -106.27 19.75 20.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.33 155.64 9.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.64 134.03 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -94.71 127.35 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.7 m -99.76 -32.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.61 116.72 0.79 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.4 t -132.86 138.57 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -144.15 147.86 34.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' CG1' HG21 ' A' ' 25' ' ' THR . 26.5 t -131.44 121.12 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' GLY . 67.1 m-70 -118.68 132.9 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.2 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.93 -34.72 2.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -163.35 -172.0 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -159.39 161.2 35.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -131.09 136.54 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 57' ' ' TYR . 24.7 t -122.37 142.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -130.33 109.17 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE1' HG11 ' A' ' 55' ' ' VAL . 60.6 m-85 -85.31 170.99 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.66 -33.45 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.45 157.04 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -53.64 49.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -39.02 -44.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 15.1 m120 -64.17 -55.42 21.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.27 -62.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -45.57 -29.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -60.95 -61.25 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -57.07 -52.34 65.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 HG22 ' CG1' ' A' ' 18' ' ' VAL . 72.7 t -44.09 -30.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.74 -34.48 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -84.24 -74.39 1.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 1.7 mm-40 -38.47 -66.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 t70 -39.69 112.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.85 22.42 6.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -103.34 136.54 42.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.25 92.47 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -101.89 120.8 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 77.21 1.78 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.78 -0.03 39.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 150.04 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.11 153.57 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 75' ' ' ILE . 88.4 mt -111.03 128.9 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 100.88 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.9 mt -115.55 153.81 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -164.78 144.0 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.16 128.03 34.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.31 76.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 4.0 ttt180 -139.44 133.34 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 57.6 t -119.95 134.17 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -103.8 98.95 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' HG22 ' A' ' 55' ' ' VAL . 2.6 mp -84.21 115.01 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -110.74 176.81 19.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 40.67 41.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 0.785 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -93.47 114.27 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' ND2' HE22 ' A' ' 78' ' ' GLN . 45.8 t-20 -68.8 66.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' LEU . 31.4 p -58.74 -15.73 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.86 -12.1 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.92 -51.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.444 HG22 ' CG2' ' A' ' 75' ' ' ILE . 2.5 t -69.47 138.42 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -178.31 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.93 -36.89 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -25.37 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 1.6 m-20 -77.6 -34.28 53.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.63 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 90.1 t -90.51 -12.78 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CG ' ' SG ' ' A' ' 46' ' ' CYS . 9.1 mt-10 -90.65 -39.4 12.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -49.01 13.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 94.8 mt -56.04 -32.49 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.6 m-85 -93.43 -14.58 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -65.38 -10.96 37.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.06 -30.48 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 20.4 m-85 -82.09 2.74 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.45 160.06 8.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -71.38 133.86 46.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.75 135.05 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.2 m -105.73 -28.42 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.16 120.2 0.95 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 34' ' ' GLU . 20.5 p -132.97 152.71 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.33 148.46 29.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 78.0 t -130.41 120.36 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.7 m-70 -118.81 130.43 55.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.07 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.21 -37.74 2.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.9 p90 -155.18 -170.67 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -160.99 167.58 26.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -137.32 151.49 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' A' ' 20' ' ' ILE . 13.1 t -138.68 138.38 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -124.5 102.96 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 62' ' ' ASN . 70.7 m-85 -78.06 170.87 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.6 t -70.32 -23.19 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.67 144.01 24.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 tt0 -52.14 -47.61 65.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -39.18 -46.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.555 ' HB3' ' CD2' ' A' ' 57' ' ' TYR . 76.7 m-20 -67.15 -45.93 75.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.11 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -46.88 -37.02 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.6 -61.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.497 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -59.71 -53.42 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' CG1' ' A' ' 18' ' ' VAL . 5.2 t -46.64 -26.86 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.93 -32.74 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -89.67 -74.01 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm-40 -37.24 -67.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 5.1 t70 -39.88 113.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.8 22.82 6.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -103.89 137.04 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.73 92.43 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -103.34 119.01 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.12 5.67 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.2 -2.97 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.406 HE22 ' ND2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -117.86 150.85 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.05 150.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 75' ' ' ILE . 84.9 mt -106.11 128.7 54.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -97.54 100.53 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -114.58 155.4 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 11.9 t30 -158.56 162.95 37.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.03 136.43 36.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -68.13 73.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 24.1 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -147.69 128.45 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 67' ' ' VAL . 59.3 t -113.63 133.25 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -102.29 98.76 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.5 mp -83.78 115.64 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -117.82 157.2 15.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 t30 62.8 36.14 13.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.06 114.44 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -70.26 64.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 p -54.08 -19.08 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.84 -12.29 53.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.89 -47.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 75' ' ' ILE . 2.1 t -72.75 137.49 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -177.44 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.43 -45.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -21.69 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.79 -30.05 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 59.7 t -94.57 -15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.6 mt-10 -90.19 -37.88 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.69 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' CG2' ' NH1' ' A' ' 73' ' ' ARG . 80.4 mt -58.02 -32.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.6 m-85 -93.17 -13.49 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -65.65 -11.28 43.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -96.34 -4.97 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.578 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 10.2 m-85 -110.33 16.11 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 160.69 10.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -73.02 130.86 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.36 134.84 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.8 m -109.65 -28.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -148.63 119.6 1.09 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 13.1 p -132.8 145.97 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.41 130.32 14.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 62.5 t -118.17 117.33 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLY . 57.2 m-70 -116.32 134.03 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -45.8 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 132.7 -30.27 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -162.19 -166.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -170.41 159.45 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.29 140.52 47.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 t -124.56 149.29 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -134.05 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 75.6 m-85 -82.52 170.82 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' A' ' 44' ' ' VAL . 2.3 t -70.55 -37.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -128.36 166.0 19.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' ALA . 1.1 tm-20 -74.95 -54.99 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -42.07 -29.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -78.33 -49.28 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -53.72 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -43.88 -34.95 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.84 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.578 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -56.44 -51.22 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 18' ' ' VAL . 38.0 t -47.67 -27.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.69 -34.25 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -85.53 -74.37 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 3.4 mm-40 -38.6 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' GLU . 21.5 t70 -37.92 118.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.84 27.69 6.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.438 ' NH1' ' CG2' ' A' ' 36' ' ' ILE . 10.9 ttt180 -110.83 138.95 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.15 91.83 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -104.3 118.24 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 81.96 -2.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.12 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -117.87 152.55 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.93 140.29 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 75' ' ' ILE . 83.0 mt -95.09 126.51 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -96.45 100.45 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 HG22 ' CG1' ' A' ' 18' ' ' VAL . 2.6 mt -117.16 155.82 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -160.79 162.14 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 mt -78.36 135.31 37.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -68.5 74.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 20.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 1.4 ttm180 -136.61 146.57 46.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 67' ' ' VAL . 54.6 t -134.01 127.45 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -98.98 99.15 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.5 mt -84.52 114.88 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 165.52 12.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.81 34.33 24.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' HB ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -84.3 113.8 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -73.14 63.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -50.02 -22.08 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.03 -12.22 53.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.43 -47.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG22 ' CG2' ' A' ' 75' ' ' ILE . 1.9 t -76.23 140.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -177.71 3.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.56 -40.16 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -24.5 67.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.29 -35.45 55.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 96.3 t -89.63 -13.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 8.7 mt-10 -90.46 -37.69 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.11 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 88.3 mt -66.53 -34.81 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.5 m-85 -92.81 -12.57 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -64.19 -27.0 68.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -77.02 -43.06 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 17.1 m-85 -63.6 -10.99 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.85 170.75 17.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 138.48 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.9 mt -101.65 134.03 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -107.35 -28.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -151.75 118.29 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.418 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 30.0 p -132.57 147.66 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.43 141.08 23.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 92.9 t -126.8 119.73 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 60.6 m-70 -118.65 130.93 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -40.22 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.43 -37.89 2.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 11.7 p90 -156.69 -171.11 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 0.772 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -162.7 166.54 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -140.07 140.84 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 55.6 t -125.75 147.37 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.03 105.14 7.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 38.7 m-85 -80.0 167.0 21.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.14 -37.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -128.3 175.0 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -81.73 -51.73 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -47.01 -36.82 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.24 -47.99 66.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -58.23 -64.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 4.0 ttm-85 -42.57 -31.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.15 -60.62 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -61.87 -51.26 68.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG23 ' CG1' ' A' ' 18' ' ' VAL . 71.6 t -45.71 -28.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.17 -33.0 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -87.41 -73.65 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 3.9 mm-40 -36.46 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.76 109.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.08 20.38 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -105.08 135.64 46.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.61 99.33 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -112.25 116.86 53.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.67 -6.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.16 -8.77 15.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.28 154.96 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.5 t -87.63 132.37 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 75' ' ' ILE . 57.7 mt -84.54 125.17 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -92.86 100.68 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.3 mt -115.65 151.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 17.6 p-10 -161.97 142.05 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 17' ' ' ARG . 1.3 mt -62.13 126.1 26.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.69 82.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 92.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -152.52 128.07 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG1' HG22 ' A' ' 67' ' ' VAL . 38.9 t -118.25 128.68 75.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -102.85 99.22 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.448 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -83.62 121.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -115.8 175.26 15.76 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 9.2 t30 40.07 47.71 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -97.15 115.4 27.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.06 64.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' LEU . 37.5 p -55.37 -18.2 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.76 -15.02 57.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.22 -47.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.43 132.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -177.52 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -71.1 -45.65 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -20.68 58.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 13.4 m-20 -81.91 -30.96 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.622 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 92.3 t -94.52 -13.59 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 10.5 mt-10 -90.37 -40.32 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.27 -50.91 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 97.0 mt -54.87 -32.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.3 m-85 -92.84 -28.74 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.3 t -50.11 -27.11 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -39.42 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 11.2 m-85 -71.9 -3.48 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.87 23.41 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -88.82 134.47 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.2 mt -97.62 136.38 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.0 m -110.82 -27.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.52 119.23 0.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.412 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 13.7 p -131.87 146.88 52.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.46 133.12 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 65.9 t -119.42 120.38 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 6.6 m-70 -118.72 130.18 55.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 10.8 tttp -40.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.58 -36.6 2.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -157.35 -171.53 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -163.54 167.27 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -138.29 146.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 57' ' ' TYR . 11.1 t -129.02 142.82 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.45 107.51 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE1' HG11 ' A' ' 55' ' ' VAL . 24.9 m-85 -83.89 169.35 15.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.2 t -69.86 -20.75 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.29 171.46 15.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -81.12 -42.22 21.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -55.63 -35.41 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.79 -38.78 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -67.14 -61.0 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -43.84 -36.66 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -54.37 -42.77 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.429 HG22 ' CG1' ' A' ' 18' ' ' VAL . 76.8 t -54.42 -30.06 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -34.41 13.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.44 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' ALA . 1.5 mm-40 -38.85 -66.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.3 t70 -39.35 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.18 19.17 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -100.47 135.61 41.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.1 91.8 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.422 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -100.56 119.28 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 76.92 7.4 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.71 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.78 148.49 49.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.28 148.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 75' ' ' ILE . 84.2 mt -106.18 128.16 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 13.4 t70 -93.24 100.72 13.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -115.77 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.546 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 19.3 p-10 -164.91 141.84 5.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.4 mt -64.35 121.67 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.48 85.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 25.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.73 126.88 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -114.62 134.26 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.6 mp -84.97 114.87 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.93 167.73 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 50.88 42.37 27.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -91.54 114.32 26.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.13 65.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 HG22 ' CG1' ' A' ' 48' ' ' VAL . 32.9 p -55.45 -17.93 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.1 -12.68 41.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -139.21 -47.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 75' ' ' ILE . 2.7 t -66.23 131.32 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 176.0 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -70.76 -37.28 73.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -12.32 61.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 31.0 m-20 -89.19 -29.9 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.638 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 46.7 t -94.72 -17.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -90.66 -24.28 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.39 -47.85 6.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 95.2 mt -58.51 -32.08 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.7 m-85 -92.72 -13.84 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -66.24 -20.43 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -12.36 59.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.477 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 9.3 m-85 -104.68 15.42 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.46 -177.61 18.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -93.43 132.38 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -95.14 138.1 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 16.1 m -109.87 -26.08 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.33 118.68 0.85 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.84 130.85 40.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -135.03 142.94 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 34.9 t -124.39 116.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' GLY . 70.2 m-70 -112.16 131.76 55.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -38.83 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.54 -43.69 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' HIS . 40.7 p90 -156.62 171.46 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 23' ' ' LEU . . . -140.82 168.94 18.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -136.82 131.57 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 40.0 t -114.98 138.53 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -123.94 108.46 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CE1' HG13 ' A' ' 55' ' ' VAL . 51.7 m-85 -86.89 170.26 11.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 44' ' ' VAL . 2.2 t -69.39 -36.16 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.01 174.72 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -85.47 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -55.69 -30.19 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -77.39 -36.37 53.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -62.55 -63.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.63 -45.01 27.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -62.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -56.23 -53.02 62.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.43 -24.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.24 -31.19 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -94.56 -74.29 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' ALA . 2.0 mm-40 -36.93 -68.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t70 -38.6 118.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 26.15 7.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -106.65 136.49 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.2 88.17 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -96.75 119.99 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 74.8 3.72 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.83 -2.97 41.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.53 145.81 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.32 142.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD2' HG23 ' A' ' 75' ' ' ILE . 74.7 mt -100.28 124.52 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -94.7 100.72 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -110.68 161.2 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 10.0 t30 -164.36 160.76 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.6 mt -81.25 134.05 35.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.66 76.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -135.02 147.55 49.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 67' ' ' VAL . 43.5 t -136.59 125.25 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -97.55 102.21 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mp -87.99 102.29 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.67 176.65 22.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 44.97 55.97 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -120.79 117.68 28.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' N ' HD21 ' A' ' 23' ' ' LEU . 11.8 t30 -68.6 64.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' LEU . 45.1 p -53.25 -19.62 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.24 -15.48 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -128.91 -49.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 23' ' ' LEU . 3.4 t -64.45 147.05 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -177.44 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.29 -44.19 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -23.52 66.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 8.8 t70 -75.42 -32.63 60.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 92.5 t -94.83 -17.17 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.6 mt-10 -90.28 -25.48 20.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.77 -40.49 11.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -65.46 -33.28 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.6 m-85 -92.17 -12.44 32.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -65.28 -10.9 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -4.41 44.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 15.5 m-85 -111.57 23.45 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 158.67 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -71.79 119.02 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.5 mt -78.06 130.65 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -100.08 -29.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 44' ' ' VAL . . . -157.83 124.73 1.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.45 143.11 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -143.82 141.33 30.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 57.5 t -126.57 118.13 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 88.6 m-70 -118.27 128.06 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -39.79 100.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.13 -12.79 6.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 16.8 p90 173.84 -171.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -161.63 168.52 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.27 137.7 36.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 54.6 t -121.95 144.84 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -129.56 108.35 10.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 84.2 m-85 -83.71 170.93 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.3 t -68.57 -31.15 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -136.21 174.07 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -79.43 -57.24 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -39.58 -36.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 7.9 m120 -67.92 -52.37 37.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.39 -67.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -39.72 -33.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -53.85 -63.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -59.79 -48.91 79.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 18' ' ' VAL . 76.6 t -44.08 -31.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.31 -75.51 0.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 15.1 mm-40 -40.19 -65.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' GLU . 27.9 t0 -38.64 112.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.93 21.95 7.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -104.66 133.31 49.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.9 100.33 12.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -115.15 121.72 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 80.31 -2.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.95 28.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -111.29 157.96 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.96 138.58 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 75' ' ' ILE . 72.5 mt -92.37 121.78 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 100.28 12.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -110.75 151.54 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -164.45 143.78 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -61.47 127.58 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.21 72.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -138.92 126.21 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' ' 67' ' ' VAL . 57.6 t -110.83 138.12 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.39 98.97 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.6 mp -81.96 123.76 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.42 169.15 13.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t30 51.12 32.22 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.85 113.87 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -74.2 64.2 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.473 HG22 ' CG1' ' A' ' 48' ' ' VAL . 43.7 p -52.11 -20.41 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.03 -10.32 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -133.92 -46.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG21 ' CG2' ' A' ' 75' ' ' ILE . 1.8 t -74.63 150.09 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.3 tptt -122.85 142.9 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -38.85 -56.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.2 m -45.89 -44.52 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -60.93 -33.87 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 55.4 t -84.92 -19.84 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.3 mt-10 -90.03 -23.41 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -93.26 -44.0 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -62.16 -32.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.26 -12.48 32.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -66.97 -11.32 56.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.14 -12.17 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 20.9 m-85 -103.7 25.32 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.01 177.13 15.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -87.61 122.92 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.8 mt -85.3 135.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.9 m -106.7 -27.35 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -160.52 121.45 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 t -131.55 135.38 46.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -133.23 148.75 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 25' ' ' THR . 85.9 t -134.94 122.64 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 62.5 m-70 -118.7 133.78 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -40.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.98 -43.8 1.26 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -149.18 -172.47 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -159.23 172.63 17.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 19' ' ' PHE . 4.2 m-85 -148.32 139.22 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 75.1 t -122.84 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -123.89 109.36 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.509 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 51.8 m-85 -87.22 169.82 12.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.62 -33.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -136.09 169.26 17.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -77.1 -54.04 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -39.03 -41.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 75.1 m-20 -70.52 -52.41 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -48.07 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -46.29 -38.65 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -47.02 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.583 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -52.72 -52.72 55.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG22 ' CG1' ' A' ' 18' ' ' VAL . 37.1 t -47.66 -26.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.44 -31.91 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -90.46 -73.61 1.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 5.4 mm-40 -38.38 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.6 t70 -38.56 116.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.68 25.06 6.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -106.75 135.35 48.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.13 90.31 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -105.55 120.99 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 80.03 1.85 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -8.43 45.06 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.15 149.52 37.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.2 143.2 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 75' ' ' ILE . 86.1 mt -97.49 126.74 42.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLY . 7.9 m-20 -95.03 100.36 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -115.44 155.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 12.9 t30 -163.8 163.09 24.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.18 135.85 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.45 74.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 131.66 26.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.58 136.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -105.77 98.71 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' HG22 ' A' ' 55' ' ' VAL . 2.4 mp -82.66 116.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.36 174.37 16.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t30 41.41 43.58 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 114.13 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -70.38 61.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.4 p -51.03 -21.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.12 -11.28 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -132.69 -48.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 75' ' ' ILE . 2.2 t -71.49 146.44 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.98 145.58 45.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -40.42 -49.4 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -53.43 -44.0 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 31.4 m-20 -62.38 -25.56 67.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 61.0 t -93.92 -19.07 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.0 mt-10 -90.35 -30.54 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -84.74 -42.17 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 94.7 mt -64.3 -33.28 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.1 m-85 -92.37 -12.79 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.53 -12.82 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -43.74 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' CG ' ' HB1' ' A' ' 66' ' ' ALA . 25.5 m-85 -65.23 -10.13 29.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.74 174.04 23.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.02 132.0 35.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.8 mt -95.57 136.92 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 15.6 m -108.44 -26.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.76 117.87 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.8 t -128.72 148.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 4.6 m -146.04 151.04 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 83.8 t -134.83 123.69 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 66.4 m-70 -117.84 132.87 56.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.608 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 3.8 mtpt -39.02 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 129.13 -44.92 1.18 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.6 p90 -145.36 -169.78 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 48' ' ' VAL . . . -164.54 173.73 11.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -143.43 153.52 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' A' ' 20' ' ' ILE . 55.5 t -138.74 134.66 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -116.77 106.72 13.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 48.6 m-85 -82.88 170.52 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.429 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 3.3 t -63.96 -32.15 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 58' ' ' VAL . 9.9 m120 -143.03 168.27 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.8 -51.27 35.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -43.74 -41.65 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -68.91 -41.82 77.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.492 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.09 -64.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -43.18 -39.93 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.39 -65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 40' ' ' TYR . . . -57.0 -50.05 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 84' ' ' LEU . 77.0 t -44.5 -32.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -36.4 12.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.23 -74.88 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.0 t70 -38.01 115.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.65 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.2 ttt180 -109.07 140.55 42.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.57 92.17 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -106.21 117.62 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.8 -2.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.11 4.02 35.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -125.73 151.64 46.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.65 147.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.0 mt -103.92 125.61 50.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -96.4 100.29 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -116.39 155.57 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.0 t30 -161.19 160.65 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.2 mt -77.49 135.44 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 77.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 36.7 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.4 ttm-85 -144.73 129.43 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.15 128.53 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -97.32 98.9 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.5 mt -85.29 116.35 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.51 12.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 50.55 42.83 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 53' ' ' ALA . 1.1 tt -92.81 114.02 26.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.441 ' ND2' HE22 ' A' ' 78' ' ' GLN . 56.9 t-20 -68.49 67.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' LEU . 32.7 p -57.77 -16.89 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.99 -12.58 61.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.02 -50.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.1 t -62.45 146.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.27 147.94 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -44.11 -49.14 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -33.33 65.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 1.9 t70 -69.28 -35.09 75.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 43.9 t -88.38 -17.52 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' SER . 7.2 mt-10 -90.63 -36.28 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.87 -46.5 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 85.1 mt -60.25 -31.02 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.41 -41.21 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.2 m -45.23 -25.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -73.82 -43.73 57.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 7.0 m-85 -65.61 -10.01 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.19 164.0 13.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -72.25 128.11 34.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 mt -94.84 139.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 17.1 m -110.53 -24.26 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.27 119.04 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -132.07 136.34 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.9 m -135.48 145.27 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 53' ' ' ALA . 77.3 t -129.56 120.11 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.7 m-70 -118.4 131.2 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 8.1 tttp -40.5 97.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.53 -37.89 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' HIS . 29.0 p90 -162.33 167.08 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' CB ' HD13 ' A' ' 23' ' ' LEU . . . -139.81 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -144.46 129.26 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.451 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 89.1 t -114.12 146.35 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.66 111.68 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -88.88 163.07 15.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.47 -37.41 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -131.69 168.43 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -73.21 -53.25 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.3 ttp180 -37.38 -46.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 27.5 m120 -59.97 -51.74 68.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -49.19 -60.25 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.16 -34.68 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -53.81 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -61.49 -50.96 70.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.2 t -43.92 -30.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.85 -34.73 13.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -81.01 -73.7 1.17 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.576 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 2.6 mm-40 -39.73 -70.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.3 t70 -36.23 112.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.86 22.95 7.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' NH1' HG22 ' A' ' 36' ' ' ILE . 9.4 ttt180 -105.52 134.95 47.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.29 88.59 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -99.01 122.77 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 72.53 5.71 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.95 55.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.441 HE22 ' ND2' ' A' ' 24' ' ' ASN . 1.2 mt-30 -121.12 142.62 49.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.32 146.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 75' ' ' ILE . 81.0 mt -104.24 122.43 45.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.15 100.26 13.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 1.8 mt -116.79 154.01 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.0 t30 -159.34 157.36 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.2 mt -75.89 132.49 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -63.3 81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 51.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.51 141.57 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG1' HG22 ' A' ' 67' ' ' VAL . 49.9 t -129.4 131.21 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -102.64 100.79 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' ALA . 2.3 mp -86.57 107.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.06 176.91 22.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 79' ' ' VAL . 13.4 t30 42.59 38.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -96.44 114.3 25.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 6.3 t-20 -62.73 79.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' LEU . 68.9 p -73.03 2.37 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -90.1 -16.28 29.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 4.1 m -126.68 -50.85 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.6 t -66.86 150.15 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -177.58 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.5 -47.69 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -25.51 63.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.09 -30.52 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.2 t -94.8 -19.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -90.1 -21.34 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.15 -47.71 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.04 -30.76 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.8 m-85 -92.5 -15.3 27.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 -21.13 66.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -84.42 -4.89 59.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.51 15.46 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.39 -173.52 21.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -99.6 116.39 31.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -78.62 131.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.9 m -107.73 -30.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' HG21 ' A' ' 44' ' ' VAL . . . -150.04 115.12 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.89 146.82 52.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -148.35 151.58 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 77.1 t -130.1 114.37 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.4 m-70 -114.71 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.598 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -39.46 101.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.7 -30.71 3.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' HIS . 13.5 p90 -168.04 -171.6 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -156.54 161.37 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -130.93 139.43 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.01 148.22 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -134.72 107.89 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 50.6 m-85 -83.95 170.7 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.28 -26.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -146.82 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ARG . 6.4 tt0 -58.54 -53.25 60.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' GLU . 4.2 mtt180 -38.71 -44.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.6 -53.23 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.97 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' ALA . 11.2 ttt180 -38.71 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.19 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -58.03 -52.76 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG22 ' CG1' ' A' ' 18' ' ' VAL . 71.3 t -43.66 -29.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.84 -35.75 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -82.86 -74.36 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -38.43 -63.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t0 -39.94 106.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.35 -8.65 13.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.07 134.25 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.39 101.13 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 HG23 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -109.67 124.98 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 72.11 6.09 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.38 17.38 36.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.575 1.172 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.49 147.66 52.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 77.3 t -80.71 130.89 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 75' ' ' ILE . 63.4 mt -92.0 123.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.88 100.29 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -113.96 150.04 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -163.98 142.86 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER -60.93 129.08 39.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.33 77.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -144.2 141.42 29.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' CG1' HG22 ' A' ' 67' ' ' VAL . 45.4 t -128.57 130.87 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -104.16 99.28 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.5 mp -82.92 121.51 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -116.76 174.21 15.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' GLY . 7.7 t30 39.46 50.99 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.81 116.39 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.5 t-20 -64.3 77.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' LEU . 27.4 p -71.23 2.01 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.73 -15.92 31.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.8 -50.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -64.33 149.55 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 5.0 tptt -117.21 143.42 45.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -41.37 -55.77 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.2 m -46.16 -37.85 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LYS . 4.1 m-20 -65.59 -35.48 80.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.3 t -85.6 -19.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.9 mt-10 -90.04 -24.92 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -90.03 -47.18 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 65.1 mt -59.83 -30.77 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.39 -14.34 28.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -67.59 -11.09 57.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.75 -27.29 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 35.5 m-85 -90.86 20.6 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.43 177.95 15.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -89.24 133.87 34.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -91.85 137.83 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -110.07 -26.4 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.34 116.71 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.5 t -125.55 149.37 48.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.04 145.22 29.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 41.5 t -128.81 124.37 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' GLY . 31.9 m-70 -118.05 150.69 38.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -62.02 81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 145.08 -22.95 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -170.12 -171.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -159.06 166.63 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.1 135.04 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 57' ' ' TYR . 72.5 t -120.6 141.26 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -125.79 108.9 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CE1' HG11 ' A' ' 55' ' ' VAL . 83.1 m-85 -85.41 169.63 13.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.99 -33.35 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -135.84 160.36 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' ALA . 44.5 tt0 -70.13 -50.64 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.5 ttt85 -37.6 -47.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 40' ' ' TYR . 2.4 m120 -68.03 -47.31 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -49.39 -65.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -46.47 -36.73 6.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.63 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.568 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -55.53 -51.0 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' CG1' ' A' ' 18' ' ' VAL . 3.3 t -52.88 -22.74 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.88 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.79 -73.44 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 66' ' ' ALA . 1.7 mm-40 -39.47 -66.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 32.9 t70 -39.57 104.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.85 18.47 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -98.81 135.18 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.24 93.7 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -101.94 119.42 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.34 4.35 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.93 7.26 50.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.79 147.71 50.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.25 154.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 95.0 mt -111.67 127.38 55.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLY . 38.8 t70 -92.97 100.01 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -115.58 154.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 p-10 -164.75 140.01 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.6 mt -61.91 127.03 29.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -142.06 133.13 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.5 125.22 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -95.87 100.24 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 55' ' ' VAL . 2.3 mp -85.96 101.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.41 179.63 30.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 40.56 34.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -90.21 114.1 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 78' ' ' GLN . 0.4 OUTLIER -64.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LEU . 24.9 p -75.1 2.55 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -88.41 -8.23 55.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 24' ' ' ASN . 4.4 m -137.25 -49.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.49 150.43 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 179.81 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.26 -45.86 53.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.5 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 64.9 m-20 -81.5 -29.8 33.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 93.7 t -94.65 -13.99 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -90.39 -39.34 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.91 -33.69 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 77.7 mt -71.63 -34.06 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.7 m-85 -92.53 -12.29 32.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -67.03 -9.15 36.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 2.9 ptmt -96.73 -0.12 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 19.6 m-85 -117.03 20.05 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.54 171.02 13.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -82.65 130.39 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -91.34 133.34 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 8.9 m -109.85 -29.65 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -147.89 119.32 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.41 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 19.4 p -132.25 144.81 50.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.418 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 1.6 p -149.17 138.35 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 72.5 t -122.37 112.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 17.9 m-70 -111.48 129.63 55.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -39.91 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.19 -33.77 2.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -163.39 -172.83 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -154.51 157.42 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -128.17 122.69 32.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.517 HG11 ' CE1' ' A' ' 57' ' ' TYR . 24.5 t -109.34 149.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -135.54 109.17 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CE1' HG11 ' A' ' 55' ' ' VAL . 48.3 m-85 -85.98 170.92 11.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.9 -28.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -139.77 159.72 41.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.6 tt0 -70.5 -51.99 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -47.24 -40.73 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -71.07 -30.39 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -70.9 -65.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 7.4 ttm180 -40.47 -33.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.74 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -55.1 -40.93 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 84' ' ' LEU . 79.2 t -54.75 -29.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.81 -34.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.7 -74.16 1.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.1 mm-40 -39.83 -65.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' GLU . 16.7 t70 -38.59 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.41 24.12 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -104.0 134.07 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.55 93.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -108.88 121.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 81.2 0.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.46 -6.75 39.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.4 mt-30 -116.71 154.41 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.56 151.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 75' ' ' ILE . 72.0 mt -107.03 127.01 53.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.93 100.7 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.6 mt -113.67 153.65 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -164.44 144.0 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -61.89 129.41 40.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 11.9 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 1.6 ttm105 -142.64 128.21 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' HG22 ' A' ' 67' ' ' VAL . 57.1 t -113.75 134.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.96 100.05 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' HG21 ' A' ' 55' ' ' VAL . 2.5 mp -84.47 121.51 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.36 171.47 14.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.77 51.48 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -104.59 114.16 28.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -62.83 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.9 p -74.77 2.96 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.35 -7.88 55.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG21 ' HB3' ' A' ' 24' ' ' ASN . 4.3 m -138.37 -50.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.77 150.77 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 -177.33 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.76 -45.32 37.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -57.4 -29.49 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 3.5 t70 -70.55 -30.59 67.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.1 t -91.1 -19.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 7.0 mt-10 -89.63 -27.1 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.98 -48.23 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -58.78 -31.25 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.93 -16.16 25.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -63.31 -12.37 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.65 0.25 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 10.8 m-85 -118.33 20.05 13.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.15 170.81 13.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -82.03 132.17 35.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.2 mt -93.02 132.13 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 9.5 m -104.87 -25.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -153.25 126.73 2.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 11.6 p -132.74 147.37 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 p -149.42 137.72 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 73.0 t -130.49 108.95 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' PHE . 28.3 m-70 -111.11 129.19 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.49 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.07 -26.14 5.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 52.9 p90 -168.78 -167.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.33 173.24 9.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 6.8 m-85 -147.87 148.8 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 20' ' ' ILE . 6.9 t -129.86 153.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -136.49 104.08 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 70.5 m-85 -81.33 170.61 15.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.19 -31.63 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -133.34 174.39 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -83.23 -48.82 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -47.97 -35.05 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.92 -46.11 54.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -56.29 -63.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -42.93 -38.86 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.86 -63.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -54.36 -50.09 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG22 ' CG1' ' A' ' 18' ' ' VAL . 24.5 t -50.92 -23.96 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -31.9 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -92.84 -74.32 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 2.1 mm-40 -37.42 -67.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.6 t70 -39.22 112.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.94 23.9 6.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -102.21 138.02 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.97 89.58 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -98.27 119.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.06 0.45 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.52 1.02 37.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -119.61 145.36 46.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.8 151.46 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 75' ' ' ILE . 81.8 mt -108.62 123.24 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.7 t70 -92.21 99.56 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -115.07 156.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 5.0 t30 -163.64 160.84 23.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -78.56 135.87 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.39 76.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.23 130.55 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 67' ' ' VAL . 48.3 t -115.51 129.7 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -101.06 99.7 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.55 120.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.57 174.75 15.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.9 t30 38.85 47.92 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -104.92 114.25 28.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.82 79.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' LEU . 57.9 p -74.55 2.84 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.37 -7.26 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.29 -49.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.35 140.68 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -177.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.28 -40.19 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -19.54 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 1.1 m-20 -82.02 -30.89 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 46.6 t -93.92 -12.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 38' ' ' SER . 8.3 mt-10 -89.72 -45.33 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -21.71 58.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 37.3 mt -81.08 -36.45 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -93.0 -22.48 19.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -65.56 -16.35 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -10.65 54.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 66' ' ' ALA . 5.4 m-85 -101.86 -0.6 33.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.01 159.18 8.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.12 131.67 48.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.01 133.74 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.5 m -109.77 -24.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -146.99 121.26 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 12.1 p -131.68 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -149.16 142.67 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 62.4 t -131.9 115.55 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 70.4 m-70 -115.94 125.55 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 12.1 mttp -39.9 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.25 -11.79 6.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 18.9 p90 174.73 -176.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -156.03 173.28 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -149.9 139.39 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -127.47 144.72 36.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -125.97 112.16 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 85.8 m-85 -88.7 170.27 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.55 -30.97 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -143.42 149.13 37.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.9 tt0 -57.9 -48.32 80.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.3 mtm180 -37.71 -47.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -68.58 -46.76 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.88 -63.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -43.66 -40.19 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 -62.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -54.36 -52.47 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 18' ' ' VAL . 22.2 t -49.16 -24.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.18 -31.7 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.43 -73.3 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 2.1 mm-40 -36.84 -72.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -38.63 122.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.41 27.14 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.73 90.4 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -101.97 117.07 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.49 -3.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.27 6.15 29.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -129.13 150.73 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.36 154.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 75' ' ' ILE . 68.6 mt -109.99 125.44 52.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' GLY . 35.7 t70 -94.88 99.64 11.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -118.23 156.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -164.99 161.03 19.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.6 mt -77.91 128.86 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.4 73.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.63 142.93 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG1' HG21 ' A' ' 67' ' ' VAL . 47.2 t -130.55 124.43 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -97.62 99.71 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.4 mp -83.57 103.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -99.3 178.39 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.9 t30 39.49 37.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -99.84 116.03 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t-20 -62.79 78.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' LEU . 29.2 p -72.68 1.86 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -89.45 -16.37 30.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.26 -48.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.28 150.65 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -121.88 143.39 49.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.16 -38.31 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 4.4 t -57.2 -49.25 76.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 14.0 m-20 -61.05 -28.46 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 95.6 t -88.64 -15.46 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' SER . 5.3 mt-10 -90.0 -44.8 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 71.9 mt -80.44 -35.62 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.0 m-85 -92.12 -12.58 32.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -64.32 -15.72 60.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -28.58 22.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 70' ' ' GLU . 25.1 m-85 -84.27 10.74 9.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.34 166.42 11.38 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -76.39 126.93 31.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -90.92 130.58 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.8 m -106.19 -25.66 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.74 122.41 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.2 p -130.88 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.36 139.98 22.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 30' ' ' LYS . 86.4 t -126.4 112.83 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 83.1 m-70 -113.86 127.22 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 4.1 mttt -39.63 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.18 -17.46 7.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 34.7 p90 179.27 -167.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.34 158.77 30.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -124.79 129.42 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 25.6 t -118.45 141.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 3.4 tp60 -126.69 116.05 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 47.4 m-85 -91.13 170.79 9.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.61 -30.86 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 170.68 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -74.19 -53.57 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.86 -38.02 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.92 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -75.85 -65.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -38.8 -39.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.3 -63.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -57.58 -51.62 68.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' CG1' ' A' ' 18' ' ' VAL . 71.7 t -44.37 -30.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -33.45 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -85.97 -74.9 1.26 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 26.1 mm-40 -39.66 -62.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.4 t70 -38.98 110.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.21 22.1 7.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -98.7 136.1 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.79 95.0 9.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -106.39 122.94 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 77.04 1.9 3.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.39 4.25 46.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 150.58 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.9 153.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 84.9 mt -112.79 126.65 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 100.42 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mt -113.47 153.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -164.6 141.56 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 mt -61.72 125.24 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.04 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 60' ' ' GLU . 2.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.68 138.31 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 67' ' ' VAL . 47.4 t -121.9 120.42 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -93.16 105.13 17.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' HG21 ' A' ' 55' ' ' VAL . 2.4 mp -89.89 113.1 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -110.13 179.85 20.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLY . 35.3 t30 39.82 34.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -83.7 113.99 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -69.41 61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' LEU . 59.9 p -50.4 -23.62 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.01 -14.09 51.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.02 -46.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.5 149.89 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 3.2 tptt -121.81 155.13 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 tttt -49.07 -57.32 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -49.94 -37.0 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.62 -35.57 80.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 56.7 t -85.14 -19.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LYS . 14.3 mt-10 -90.32 -30.03 17.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -81.96 -47.97 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CG2' ' OE2' ' A' ' 70' ' ' GLU . 64.2 mt -60.16 -32.58 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.71 -12.22 32.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -68.21 -16.61 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.63 -12.74 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 16.9 m-85 -102.36 25.07 9.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.58 175.24 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 127.05 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.7 mt -88.22 136.75 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.1 m -109.73 -27.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.45 117.94 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.7 t -133.09 145.72 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -147.51 150.72 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.81 118.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLY . 59.0 m-70 -116.78 133.0 56.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 7.4 tttt -40.01 98.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.52 -38.55 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -157.59 -172.2 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.31 170.83 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.48 144.79 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 57' ' ' TYR . 7.8 t -130.87 143.02 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.9 106.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 53.9 m-85 -82.64 165.85 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.84 -39.98 42.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -136.65 166.96 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 16' ' ' SER . 9.9 tt0 -66.84 -43.72 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 62' ' ' ASN . 20.0 ptt180 -52.13 -40.35 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 6.7 m-20 -71.04 -25.07 62.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -82.08 -44.41 16.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.25 -26.59 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -61.5 -38.71 88.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.522 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 4.8 t -63.12 -19.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.27 -22.03 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -104.95 -74.82 0.98 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 38.2 mm-40 -35.87 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.522 ' OD1' ' HA ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -35.83 104.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.79 8.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -92.93 132.21 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.731 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.59 87.53 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 28.1 mt -107.01 120.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 82.54 1.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.16 -7.59 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.27 141.89 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.48 110.19 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.16 126.63 29.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 99.91 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' HB ' ' CG ' ' A' ' 71' ' ' ASP . 8.9 mt -117.51 153.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -166.57 144.02 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 67' ' ' VAL . 1.9 mt -61.95 126.64 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.03 83.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 60' ' ' GLU . 33.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -141.17 131.7 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.11 132.26 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.53 102.1 12.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.4 mp -88.09 121.01 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.71 175.74 15.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 1.7 t30 45.2 35.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 0.724 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -87.51 113.69 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 78' ' ' GLN . 0.2 OUTLIER -67.9 78.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.7 p -73.27 2.55 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.18 -8.7 50.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -138.5 -50.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.09 150.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.7 tptt -115.37 148.54 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -45.28 -56.83 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -27.06 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 3.7 t0 -71.46 -30.27 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 44.7 t -93.22 -18.42 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.59 -24.16 20.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.9 -44.8 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.2 mt -61.41 -32.37 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.7 m-85 -92.61 -13.38 29.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.89 -23.29 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -5.17 54.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.579 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 7.0 m-85 -112.59 23.38 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.9 166.63 12.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -81.74 117.76 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mt -79.4 128.22 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.2 m -96.83 -27.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.18 124.12 1.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.0 t -132.7 141.47 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -135.39 147.58 49.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.935 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 t -133.43 119.03 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.3 m-70 -118.61 131.93 56.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -41.2 97.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.79 -34.74 2.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 17.3 p90 -160.19 -171.35 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.77 170.5 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.64 153.36 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG11 ' CE1' ' A' ' 57' ' ' TYR . 24.3 t -136.26 136.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -120.24 108.51 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 77.4 m-85 -87.25 159.18 18.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.71 -31.49 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -133.55 159.45 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -68.08 -52.23 37.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -42.71 -39.45 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.492 ' HB3' ' CD2' ' A' ' 57' ' ' TYR . 69.4 m-20 -63.86 -44.09 94.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.497 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -55.56 -64.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -45.75 -42.42 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.579 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -55.4 -51.66 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.88 -24.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.03 -32.42 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.78 -74.38 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 3.7 mm-40 -36.88 -67.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.738 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' GLU . 6.5 t70 -39.39 120.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.68 25.89 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' NH1' HD13 ' A' ' 36' ' ' ILE . 6.4 ttt180 -107.37 135.34 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.37 90.63 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -104.0 118.27 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.62 -2.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.45 -9.72 28.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.2 mt-30 -113.96 155.71 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.6 146.82 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 22' ' ' ASN . 92.2 mt -100.48 125.82 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.83 100.49 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.3 mt -109.4 161.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 7.3 t30 -164.63 160.5 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -80.16 136.34 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -65.54 75.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.8 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 2.5 ttt180 -137.95 147.25 44.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG1' HG22 ' A' ' 67' ' ' VAL . 48.9 t -133.44 134.51 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -106.42 98.7 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' ALA . 2.4 mp -82.34 113.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -112.3 174.02 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.4 t30 39.81 51.55 2.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.12 116.94 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.483 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.9 t-20 -62.32 79.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' LEU . 79.9 p -72.82 2.76 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.72 -15.23 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -127.32 -51.62 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.6 t -65.43 149.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' ASP . 4.0 tptt -120.29 153.02 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.07 -56.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -46.82 -43.45 18.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 m-20 -61.88 -31.35 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 42.7 t -87.76 -19.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.5 mt-10 -90.24 -25.2 20.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -87.82 -40.47 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 89.4 mt -67.45 -32.91 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -91.97 -12.66 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -67.48 -10.27 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -95.31 -6.93 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 13.0 m-85 -108.33 23.46 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.49 171.04 13.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -81.95 122.28 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mt -83.05 130.2 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -103.08 -24.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' N ' HG21 ' A' ' 44' ' ' VAL . . . -162.48 121.98 1.07 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 t -130.17 141.55 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -140.47 149.56 42.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' N ' ' HD2' ' A' ' 30' ' ' LYS . 49.7 t -131.14 107.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 18.4 m-70 -105.93 126.63 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -38.56 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.7 7.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 49' ' ' HIS . 8.5 p90 -172.47 -171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -153.25 169.33 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -143.66 130.09 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.5 t -118.93 148.63 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -132.28 111.2 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 68.7 m-85 -88.07 169.2 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.14 -38.22 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 175.47 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -53.71 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -41.41 -31.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 30.4 m120 -77.89 -51.03 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.567 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.15 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 18.5 ttm180 -38.19 -34.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -50.95 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.575 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -56.76 -49.88 73.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' CG1' ' A' ' 18' ' ' VAL . 78.1 t -47.07 -30.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.5 -34.6 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -82.84 -74.67 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' ALA . 2.0 mm-40 -39.98 -67.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.4 t70 -36.93 112.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.98 24.24 6.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -106.63 136.83 45.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.08 93.37 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -102.71 117.93 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.76 -0.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.06 -9.78 29.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -108.14 152.5 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.96 147.03 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 75' ' ' ILE . 55.2 mt -104.48 118.07 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 100.16 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -111.67 153.4 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.1 p-10 -161.2 141.1 10.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 64' ' ' ARG . 1.1 mt -61.85 127.27 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 12.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -147.68 135.76 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 67' ' ' VAL . 93.7 t -128.0 124.33 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -95.38 115.44 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.595 ' CD1' ' N ' ' A' ' 20' ' ' ILE . 1.6 mp -95.93 101.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -95.47 176.38 33.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' GLY . 15.1 t30 39.5 48.17 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -101.16 113.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' HB3' HG21 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -64.39 80.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 HG22 ' CG1' ' A' ' 48' ' ' VAL . 44.6 p -73.39 2.74 7.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.97 -7.82 56.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 24' ' ' ASN . 4.2 m -140.1 -50.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' CB ' ' A' ' 32' ' ' ASP . 3.2 t -65.69 150.47 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 -177.75 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.08 -21.09 51.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -82.9 -9.92 59.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.473 ' CB ' HG12 ' A' ' 28' ' ' VAL . 1.1 t70 -84.76 -34.06 22.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 38.8 t -94.47 -14.1 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 25.5 mt-10 -90.71 -31.33 16.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.92 -55.77 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 84.1 mt -50.29 -29.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.4 m-85 -92.36 -26.82 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -53.24 -32.63 49.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.42 -32.11 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 69' ' ' GLY . 11.3 m-85 -84.05 10.73 9.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.43 169.71 11.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.36 127.74 33.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 34' ' ' GLU . 80.6 mt -90.06 136.43 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 19.3 m -106.85 -26.8 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.422 ' N ' HG21 ' A' ' 44' ' ' VAL . . . -159.7 121.39 1.04 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 29.5 t -133.11 135.43 45.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -133.4 152.28 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HG22 ' A' ' 25' ' ' THR . 86.4 t -133.79 121.0 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 93.0 m-70 -115.59 134.01 55.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.554 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -40.16 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.62 -41.17 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 10.3 p90 -152.66 -169.16 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.43 177.87 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -143.42 152.29 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 57' ' ' TYR . 43.5 t -136.29 131.63 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -118.27 110.76 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.533 ' CE1' HG12 ' A' ' 55' ' ' VAL . 41.4 m-85 -87.67 170.14 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.87 -24.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -143.53 164.62 29.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ALA . 5.2 tm-20 -71.99 -49.72 34.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -46.06 -39.01 8.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -70.11 -36.13 74.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.41 -64.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -47.55 -44.92 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.6 -59.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.44 -51.75 67.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.46 HG23 ' CG1' ' A' ' 18' ' ' VAL . 78.4 t -43.42 -30.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.9 -34.17 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -82.98 -74.96 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 1.5 mm-40 -42.87 -62.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.416 ' N ' HD13 ' A' ' 82' ' ' ILE . 29.8 t70 -39.87 117.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.66 21.26 9.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -98.97 137.09 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 95.97 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.446 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -108.44 120.8 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 77.79 7.7 2.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.18 -7.07 58.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.435 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -114.75 153.71 29.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.79 152.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' HG21 ' A' ' 75' ' ' ILE . 99.0 mt -106.02 129.26 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.75 100.73 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.6 mt -110.6 156.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -164.73 140.14 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.2 mt -62.12 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 78.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -58.64 124.83 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -118.07 127.82 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.17 155.95 21.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t 62.87 82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.35 168.43 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.96 77.37 0.14 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -173.14 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -129.25 91.31 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.2 143.79 50.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.59 2.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -129.9 -57.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.43 75.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 ptp -163.23 166.88 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.81 -46.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -87.61 97.41 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -141.26 150.21 42.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 67' ' ' VAL . 56.2 t -139.58 121.11 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.72 99.15 11.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.6 mp -84.03 107.75 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.07 174.53 22.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t30 46.02 40.72 7.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.41 114.04 26.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -69.59 65.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 HG21 ' CG1' ' A' ' 48' ' ' VAL . 43.9 p -55.72 -18.11 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.21 -13.58 62.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.97 -48.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 75' ' ' ILE . 2.5 t -70.13 143.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -179.28 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.31 -43.47 56.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -63.03 -23.39 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -76.08 -32.2 59.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.61 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 91.9 t -94.51 -16.3 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.7 mt-10 -90.44 -28.4 18.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.4 -45.02 9.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.9 mt -60.76 -31.07 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.1 m-85 -92.35 -12.88 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -67.94 -10.08 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -93.41 -12.52 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 14.4 m-85 -106.27 19.75 20.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.33 155.64 9.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.64 134.03 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.5 mt -94.71 127.35 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.7 m -99.76 -32.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.61 116.72 0.79 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.4 t -132.86 138.57 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -144.15 147.86 34.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' CG1' HG21 ' A' ' 25' ' ' THR . 26.5 t -131.44 121.12 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' GLY . 67.1 m-70 -118.68 132.9 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.2 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.93 -34.72 2.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -163.35 -172.0 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -159.39 161.2 35.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -131.09 136.54 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 57' ' ' TYR . 24.7 t -122.37 142.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -130.33 109.17 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE1' HG11 ' A' ' 55' ' ' VAL . 60.6 m-85 -85.31 170.99 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.66 -33.45 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.45 157.04 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -53.64 49.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -39.02 -44.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 15.1 m120 -64.17 -55.42 21.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.27 -62.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -45.57 -29.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -60.95 -61.25 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -57.07 -52.34 65.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 HG22 ' CG1' ' A' ' 18' ' ' VAL . 72.7 t -44.09 -30.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.74 -34.48 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -84.24 -74.39 1.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 1.7 mm-40 -38.47 -66.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 t70 -39.69 112.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.85 22.42 6.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -103.34 136.54 42.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.25 92.47 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -101.89 120.8 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 77.21 1.78 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.78 -0.03 39.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 150.04 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.11 153.57 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 75' ' ' ILE . 88.4 mt -111.03 128.9 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 100.88 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.9 mt -115.55 153.81 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -164.78 144.0 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.16 128.03 34.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.31 76.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.83 -53.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -112.66 101.78 53.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.75 19.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.09 130.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 52.81 98.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -59.07 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.36 138.2 58.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.96 164.61 10.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.0 p -79.28 109.87 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -158.04 152.44 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m 55.87 80.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -135.69 92.91 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.06 148.57 4.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t 57.38 83.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.957 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 124.02 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.06 88.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.79 114.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 141.24 30.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -136.68 141.42 35.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.9 6.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 177.21 158.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.28 144.21 27.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.2 82.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -143.83 78.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 p -141.44 97.54 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 4.0 ttt180 -139.44 133.34 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 57.6 t -119.95 134.17 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -103.8 98.95 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' HG22 ' A' ' 55' ' ' VAL . 2.6 mp -84.21 115.01 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -110.74 176.81 19.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 40.67 41.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 0.785 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -93.47 114.27 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' ND2' HE22 ' A' ' 78' ' ' GLN . 45.8 t-20 -68.8 66.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' LEU . 31.4 p -58.74 -15.73 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.86 -12.1 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.92 -51.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.444 HG22 ' CG2' ' A' ' 75' ' ' ILE . 2.5 t -69.47 138.42 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -178.31 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.93 -36.89 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -25.37 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 1.6 m-20 -77.6 -34.28 53.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.63 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 90.1 t -90.51 -12.78 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CG ' ' SG ' ' A' ' 46' ' ' CYS . 9.1 mt-10 -90.65 -39.4 12.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -49.01 13.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 94.8 mt -56.04 -32.49 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.6 m-85 -93.43 -14.58 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -65.38 -10.96 37.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.06 -30.48 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 20.4 m-85 -82.09 2.74 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.45 160.06 8.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -71.38 133.86 46.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.75 135.05 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.2 m -105.73 -28.42 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.16 120.2 0.95 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 34' ' ' GLU . 20.5 p -132.97 152.71 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.33 148.46 29.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 78.0 t -130.41 120.36 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.7 m-70 -118.81 130.43 55.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.07 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.21 -37.74 2.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.9 p90 -155.18 -170.67 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -160.99 167.58 26.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -137.32 151.49 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' A' ' 20' ' ' ILE . 13.1 t -138.68 138.38 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -124.5 102.96 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 62' ' ' ASN . 70.7 m-85 -78.06 170.87 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.6 t -70.32 -23.19 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.67 144.01 24.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 tt0 -52.14 -47.61 65.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -39.18 -46.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.555 ' HB3' ' CD2' ' A' ' 57' ' ' TYR . 76.7 m-20 -67.15 -45.93 75.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.11 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -46.88 -37.02 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.6 -61.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.497 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -59.71 -53.42 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' CG2' ' CG1' ' A' ' 18' ' ' VAL . 5.2 t -46.64 -26.86 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.93 -32.74 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -89.67 -74.01 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 1.8 mm-40 -37.24 -67.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 5.1 t70 -39.88 113.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.8 22.82 6.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -103.89 137.04 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.73 92.43 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -103.34 119.01 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.12 5.67 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.2 -2.97 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.406 HE22 ' ND2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -117.86 150.85 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.05 150.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 75' ' ' ILE . 84.9 mt -106.11 128.7 54.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -97.54 100.53 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -114.58 155.4 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 11.9 t30 -158.56 162.95 37.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.03 136.43 36.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -68.13 73.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.04 -49.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -118.56 98.78 51.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.83 17.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 57.96 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -87.96 151.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -100.96 97.65 8.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 -54.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.16 -58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.72 131.22 1.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 131.81 14.68 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 m -58.04 169.63 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.2 t -96.57 -58.74 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.132 . . . . 0.0 111.024 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -109.87 137.7 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t 61.0 165.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -70.72 -60.92 4.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t 67.13 -71.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.052 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -48.08 128.18 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.98 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.83 -166.62 12.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.88 127.59 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 m 60.38 117.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.13 146.3 31.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 57.01 4.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.12 100.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.18 131.39 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.95 82.8 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -137.97 77.05 1.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 24.1 p -132.24 101.13 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -147.69 128.45 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 67' ' ' VAL . 59.3 t -113.63 133.25 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -102.29 98.76 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.5 mp -83.78 115.64 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -117.82 157.2 15.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 t30 62.8 36.14 13.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.06 114.44 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -70.26 64.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.2 p -54.08 -19.08 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.84 -12.29 53.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.89 -47.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 75' ' ' ILE . 2.1 t -72.75 137.49 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -177.44 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.43 -45.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -21.69 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.79 -30.05 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 59.7 t -94.57 -15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.6 mt-10 -90.19 -37.88 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.69 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' CG2' ' NH1' ' A' ' 73' ' ' ARG . 80.4 mt -58.02 -32.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.6 m-85 -93.17 -13.49 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -65.65 -11.28 43.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -96.34 -4.97 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.578 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 10.2 m-85 -110.33 16.11 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 160.69 10.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -73.02 130.86 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.36 134.84 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.8 m -109.65 -28.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -148.63 119.6 1.09 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 13.1 p -132.8 145.97 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.41 130.32 14.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 62.5 t -118.17 117.33 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLY . 57.2 m-70 -116.32 134.03 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -45.8 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 132.7 -30.27 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -162.19 -166.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -170.41 159.45 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.29 140.52 47.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 t -124.56 149.29 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -134.05 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 75.6 m-85 -82.52 170.82 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' A' ' 44' ' ' VAL . 2.3 t -70.55 -37.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -128.36 166.0 19.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' ALA . 1.1 tm-20 -74.95 -54.99 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -42.07 -29.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -78.33 -49.28 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.558 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -53.72 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -43.88 -34.95 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.84 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.578 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -56.44 -51.22 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 18' ' ' VAL . 38.0 t -47.67 -27.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.69 -34.25 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -85.53 -74.37 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 3.4 mm-40 -38.6 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' GLU . 21.5 t70 -37.92 118.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.84 27.69 6.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' NH1' ' CG2' ' A' ' 36' ' ' ILE . 10.9 ttt180 -110.83 138.95 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.15 91.83 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -104.3 118.24 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 81.96 -2.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.12 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -117.87 152.55 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.93 140.29 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 75' ' ' ILE . 83.0 mt -95.09 126.51 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -96.45 100.45 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 HG22 ' CG1' ' A' ' 18' ' ' VAL . 2.6 mt -117.16 155.82 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -160.79 162.14 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 mt -78.36 135.31 37.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -68.5 74.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.79 -52.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -115.04 95.79 43.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.58 20.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt 43.73 48.9 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.8 130.79 40.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -167.76 137.62 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -59.72 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.01 -56.42 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.64 -153.74 20.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 64.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.24 119.2 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -156.71 89.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.37 87.12 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -43.62 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.93 -105.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.55 151.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -144.77 -56.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.17 -70.64 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 112.45 24.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -75.23 91.62 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.62 145.4 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 13.9 ttp-105 -171.77 134.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.21 -54.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.87 80.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -144.85 76.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 20.5 p -128.29 97.66 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 1.4 ttm180 -136.61 146.57 46.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 67' ' ' VAL . 54.6 t -134.01 127.45 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -98.98 99.15 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.5 mt -84.52 114.88 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 165.52 12.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.81 34.33 24.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' HB ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -84.3 113.8 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -73.14 63.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -50.02 -22.08 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.03 -12.22 53.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.43 -47.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG22 ' CG2' ' A' ' 75' ' ' ILE . 1.9 t -76.23 140.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -177.71 3.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.56 -40.16 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -24.5 67.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.29 -35.45 55.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 96.3 t -89.63 -13.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 8.7 mt-10 -90.46 -37.69 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.11 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 88.3 mt -66.53 -34.81 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.5 m-85 -92.81 -12.57 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -64.19 -27.0 68.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -77.02 -43.06 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 17.1 m-85 -63.6 -10.99 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.85 170.75 17.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 138.48 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.9 mt -101.65 134.03 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -107.35 -28.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -151.75 118.29 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.418 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 30.0 p -132.57 147.66 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.43 141.08 23.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 92.9 t -126.8 119.73 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 60.6 m-70 -118.65 130.93 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -40.22 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.43 -37.89 2.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 11.7 p90 -156.69 -171.11 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 0.772 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -162.7 166.54 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -140.07 140.84 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 55.6 t -125.75 147.37 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.03 105.14 7.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 38.7 m-85 -80.0 167.0 21.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.14 -37.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -128.3 175.0 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -81.73 -51.73 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -47.01 -36.82 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.24 -47.99 66.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -58.23 -64.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 4.0 ttm-85 -42.57 -31.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.15 -60.62 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -61.87 -51.26 68.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG23 ' CG1' ' A' ' 18' ' ' VAL . 71.6 t -45.71 -28.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.17 -33.0 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -87.41 -73.65 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 3.9 mm-40 -36.46 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.76 109.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.08 20.38 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -105.08 135.64 46.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.61 99.33 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -112.25 116.86 53.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.67 -6.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.16 -8.77 15.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.28 154.96 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.5 t -87.63 132.37 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 75' ' ' ILE . 57.7 mt -84.54 125.17 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -92.86 100.68 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.3 mt -115.65 151.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 17.6 p-10 -161.97 142.05 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 17' ' ' ARG . 1.3 mt -62.13 126.1 26.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.69 82.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.54 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.83 106.09 51.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.6 19.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 42.73 48.1 4.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.22 120.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.7 t30 49.27 94.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -175.65 144.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -151.91 97.66 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.76 152.04 22.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.63 25.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -61.11 143.01 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.59 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.4 156.06 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.18 89.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.32 106.41 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -98.0 158.06 15.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -131.64 109.93 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -160.4 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -135.6 157.14 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 t -119.15 154.07 33.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -112.95 150.68 43.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.0 64.46 6.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER 162.68 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.61 93.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tpt -117.73 93.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -164.97 36.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 92.5 p -88.54 97.34 11.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -152.52 128.07 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG1' HG22 ' A' ' 67' ' ' VAL . 38.9 t -118.25 128.68 75.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -102.85 99.22 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.448 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -83.62 121.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -115.8 175.26 15.76 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 9.2 t30 40.07 47.71 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -97.15 115.4 27.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -69.06 64.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' LEU . 37.5 p -55.37 -18.2 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.76 -15.02 57.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.22 -47.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.43 132.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -177.52 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -71.1 -45.65 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -20.68 58.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 13.4 m-20 -81.91 -30.96 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.622 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 92.3 t -94.52 -13.59 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 10.5 mt-10 -90.37 -40.32 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.27 -50.91 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 97.0 mt -54.87 -32.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.3 m-85 -92.84 -28.74 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.3 t -50.11 -27.11 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -39.42 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 11.2 m-85 -71.9 -3.48 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.87 23.41 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -88.82 134.47 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.2 mt -97.62 136.38 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.0 m -110.82 -27.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.52 119.23 0.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.412 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 13.7 p -131.87 146.88 52.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.46 133.12 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 65.9 t -119.42 120.38 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 6.6 m-70 -118.72 130.18 55.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 10.8 tttp -40.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.58 -36.6 2.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -157.35 -171.53 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -163.54 167.27 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -138.29 146.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 57' ' ' TYR . 11.1 t -129.02 142.82 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.45 107.51 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE1' HG11 ' A' ' 55' ' ' VAL . 24.9 m-85 -83.89 169.35 15.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.2 t -69.86 -20.75 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.29 171.46 15.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -81.12 -42.22 21.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -55.63 -35.41 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.79 -38.78 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -67.14 -61.0 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -43.84 -36.66 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -54.37 -42.77 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.429 HG22 ' CG1' ' A' ' 18' ' ' VAL . 76.8 t -54.42 -30.06 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -34.41 13.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.44 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' ALA . 1.5 mm-40 -38.85 -66.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.3 t70 -39.35 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.18 19.17 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -100.47 135.61 41.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.1 91.8 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.422 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -100.56 119.28 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 76.92 7.4 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.71 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.78 148.49 49.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.28 148.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 75' ' ' ILE . 84.2 mt -106.18 128.16 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 13.4 t70 -93.24 100.72 13.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -115.77 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.546 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 19.3 p-10 -164.91 141.84 5.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.4 mt -64.35 121.67 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.48 85.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -177.53 -56.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.77 108.0 59.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -8.37 20.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 43.14 48.74 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.61 125.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 50.31 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -104.53 145.11 30.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -143.78 102.16 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.27 132.79 48.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 p -142.33 112.31 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 m -156.19 -58.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -140.1 -58.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.978 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t 65.2 112.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 -74.98 0.96 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.63 165.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 136.06 56.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.54 134.45 12.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 177.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -135.77 156.54 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.365 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.7 150.07 42.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.01 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -167.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.41 80.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -87.21 74.87 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 25.2 p -130.74 98.49 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.73 126.88 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -114.62 134.26 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.6 mp -84.97 114.87 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.93 167.73 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 50.88 42.37 27.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -91.54 114.32 26.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.13 65.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 HG22 ' CG1' ' A' ' 48' ' ' VAL . 32.9 p -55.45 -17.93 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.1 -12.68 41.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -139.21 -47.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 75' ' ' ILE . 2.7 t -66.23 131.32 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.53 176.0 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -70.76 -37.28 73.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -12.32 61.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 31.0 m-20 -89.19 -29.9 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.638 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 46.7 t -94.72 -17.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -90.66 -24.28 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.39 -47.85 6.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 95.2 mt -58.51 -32.08 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.7 m-85 -92.72 -13.84 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -66.24 -20.43 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -12.36 59.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.477 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 9.3 m-85 -104.68 15.42 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.46 -177.61 18.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -93.43 132.38 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -95.14 138.1 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 16.1 m -109.87 -26.08 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.33 118.68 0.85 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.84 130.85 40.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -135.03 142.94 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 34.9 t -124.39 116.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' GLY . 70.2 m-70 -112.16 131.76 55.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -38.83 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.54 -43.69 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' HIS . 40.7 p90 -156.62 171.46 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 23' ' ' LEU . . . -140.82 168.94 18.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -136.82 131.57 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 40.0 t -114.98 138.53 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -123.94 108.46 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' CE1' HG13 ' A' ' 55' ' ' VAL . 51.7 m-85 -86.89 170.26 11.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 44' ' ' VAL . 2.2 t -69.39 -36.16 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.01 174.72 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -85.47 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -55.69 -30.19 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -77.39 -36.37 53.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -62.55 -63.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.63 -45.01 27.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -62.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -56.23 -53.02 62.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.43 -24.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.24 -31.19 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -94.56 -74.29 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' ALA . 2.0 mm-40 -36.93 -68.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t70 -38.6 118.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 26.15 7.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -106.65 136.49 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.2 88.17 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -96.75 119.99 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 74.8 3.72 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.83 -2.97 41.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.53 145.81 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.32 142.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD2' HG23 ' A' ' 75' ' ' ILE . 74.7 mt -100.28 124.52 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -94.7 100.72 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -110.68 161.2 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 10.0 t30 -164.36 160.76 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.6 mt -81.25 134.05 35.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.66 76.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -168.77 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.76 101.22 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.02 19.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 40.87 54.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.73 128.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -153.58 113.03 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 -56.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.32 128.48 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.59 92.01 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.53 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.9 p -94.43 157.32 16.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.0 t -96.98 -58.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -138.05 129.03 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.21 163.31 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.03 109.19 3.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.8 77.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 147.86 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.042 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.07 -75.76 0.64 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.122 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.29 117.6 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 t -134.6 140.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.31 152.69 78.56 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 102.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -160.67 -57.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.4 p -91.4 171.12 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 5.4 ptp -62.71 124.37 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 14' ' ' MET . 14.5 m-20 177.51 67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -135.1 97.55 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -135.02 147.55 49.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 67' ' ' VAL . 43.5 t -136.59 125.25 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -97.55 102.21 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.3 mp -87.99 102.29 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.67 176.65 22.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 44.97 55.97 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -120.79 117.68 28.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' N ' HD21 ' A' ' 23' ' ' LEU . 11.8 t30 -68.6 64.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' LEU . 45.1 p -53.25 -19.62 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.24 -15.48 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -128.91 -49.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 23' ' ' LEU . 3.4 t -64.45 147.05 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -177.44 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.29 -44.19 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -23.52 66.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 8.8 t70 -75.42 -32.63 60.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.607 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 92.5 t -94.83 -17.17 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.6 mt-10 -90.28 -25.48 20.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.77 -40.49 11.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -65.46 -33.28 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.6 m-85 -92.17 -12.44 32.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -65.28 -10.9 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -4.41 44.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 15.5 m-85 -111.57 23.45 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 158.67 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -71.79 119.02 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.5 mt -78.06 130.65 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -100.08 -29.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 44' ' ' VAL . . . -157.83 124.73 1.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.45 143.11 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -143.82 141.33 30.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 57.5 t -126.57 118.13 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 88.6 m-70 -118.27 128.06 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -39.79 100.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.13 -12.79 6.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 16.8 p90 173.84 -171.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -161.63 168.52 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.27 137.7 36.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 54.6 t -121.95 144.84 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -129.56 108.35 10.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 84.2 m-85 -83.71 170.93 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.3 t -68.57 -31.15 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -136.21 174.07 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -79.43 -57.24 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -39.58 -36.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 7.9 m120 -67.92 -52.37 37.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.39 -67.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -39.72 -33.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -53.85 -63.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -59.79 -48.91 79.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 18' ' ' VAL . 76.6 t -44.08 -31.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.31 -75.51 0.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 15.1 mm-40 -40.19 -65.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' GLU . 27.9 t0 -38.64 112.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.93 21.95 7.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -104.66 133.31 49.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.9 100.33 12.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -115.15 121.72 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 80.31 -2.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.95 28.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -111.29 157.96 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.96 138.58 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 75' ' ' ILE . 72.5 mt -92.37 121.78 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 100.28 12.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -110.75 151.54 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -164.45 143.78 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -61.47 127.58 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.21 72.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -159.84 -58.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -111.37 100.79 48.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 89' ' ' LYS . 18.3 Cg_endo -75.05 -8.23 19.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 33.66 53.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.4 t -107.32 135.88 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.65 164.92 25.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.5 119.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.31 -60.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.88 -131.6 2.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.6 t -137.32 129.44 29.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 p 39.72 90.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.86 110.01 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.23 102.52 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.4 122.38 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t 52.58 81.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 p -116.35 99.82 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.35 -167.21 5.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -115.69 151.86 34.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -130.36 71.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.31 163.65 22.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.09 3.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 47.88 85.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -179.53 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mmt -104.87 78.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.03 75.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.9 p -136.73 97.58 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -138.92 126.21 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' ' 67' ' ' VAL . 57.6 t -110.83 138.12 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.39 98.97 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.6 mp -81.96 123.76 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.42 169.15 13.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t30 51.12 32.22 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.85 113.87 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -74.2 64.2 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.473 HG22 ' CG1' ' A' ' 48' ' ' VAL . 43.7 p -52.11 -20.41 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.03 -10.32 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -133.92 -46.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG21 ' CG2' ' A' ' 75' ' ' ILE . 1.8 t -74.63 150.09 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.3 tptt -122.85 142.9 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -38.85 -56.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.2 m -45.89 -44.52 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -60.93 -33.87 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 55.4 t -84.92 -19.84 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.3 mt-10 -90.03 -23.41 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -93.26 -44.0 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -62.16 -32.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.26 -12.48 32.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -66.97 -11.32 56.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.14 -12.17 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 20.9 m-85 -103.7 25.32 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.01 177.13 15.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -87.61 122.92 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.8 mt -85.3 135.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.9 m -106.7 -27.35 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -160.52 121.45 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.7 t -131.55 135.38 46.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -133.23 148.75 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 25' ' ' THR . 85.9 t -134.94 122.64 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 62.5 m-70 -118.7 133.78 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -40.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.98 -43.8 1.26 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -149.18 -172.47 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -159.23 172.63 17.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 19' ' ' PHE . 4.2 m-85 -148.32 139.22 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 75.1 t -122.84 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -123.89 109.36 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.509 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 51.8 m-85 -87.22 169.82 12.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.62 -33.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -136.09 169.26 17.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -77.1 -54.04 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -39.03 -41.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 75.1 m-20 -70.52 -52.41 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -48.07 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -46.29 -38.65 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -47.02 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.583 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -52.72 -52.72 55.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG22 ' CG1' ' A' ' 18' ' ' VAL . 37.1 t -47.66 -26.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.44 -31.91 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -90.46 -73.61 1.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 5.4 mm-40 -38.38 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.6 t70 -38.56 116.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.68 25.06 6.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -106.75 135.35 48.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.13 90.31 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -105.55 120.99 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 80.03 1.85 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -8.43 45.06 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.15 149.52 37.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.2 143.2 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 75' ' ' ILE . 86.1 mt -97.49 126.74 42.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLY . 7.9 m-20 -95.03 100.36 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -115.44 155.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 12.9 t30 -163.8 163.09 24.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.18 135.85 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.45 74.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -164.48 -51.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.29 102.6 45.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -7.8 19.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.67 54.16 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.9 p -95.18 141.91 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.3 112.16 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -134.91 151.69 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.46 170.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.31 91.18 2.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 68.05 5.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 60.29 107.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.67 110.63 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -166.43 91.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.23 146.06 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 139.68 3.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.4 p -157.83 133.06 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -98.82 144.53 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.64 105.32 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -60.19 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 0.811 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.77 125.75 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.15 146.34 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.64 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 127.99 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -69.45 165.35 21.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.9 mmm 42.32 83.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -138.18 77.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 t -145.06 97.51 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 131.66 26.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.58 136.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -105.77 98.71 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' HG22 ' A' ' 55' ' ' VAL . 2.4 mp -82.66 116.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.36 174.37 16.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t30 41.41 43.58 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.05 114.13 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -70.38 61.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.4 p -51.03 -21.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.12 -11.28 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -132.69 -48.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 75' ' ' ILE . 2.2 t -71.49 146.44 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.98 145.58 45.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -40.42 -49.4 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -53.43 -44.0 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 31.4 m-20 -62.38 -25.56 67.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 61.0 t -93.92 -19.07 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.0 mt-10 -90.35 -30.54 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -84.74 -42.17 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 94.7 mt -64.3 -33.28 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.1 m-85 -92.37 -12.79 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.53 -12.82 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -43.74 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' CG ' ' HB1' ' A' ' 66' ' ' ALA . 25.5 m-85 -65.23 -10.13 29.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.74 174.04 23.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.02 132.0 35.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.8 mt -95.57 136.92 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 15.6 m -108.44 -26.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.76 117.87 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.8 t -128.72 148.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 4.6 m -146.04 151.04 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 ' HA ' ' CB ' ' A' ' 53' ' ' ALA . 83.8 t -134.83 123.69 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 66.4 m-70 -117.84 132.87 56.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.608 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 3.8 mtpt -39.02 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 129.13 -44.92 1.18 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.6 p90 -145.36 -169.78 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 48' ' ' VAL . . . -164.54 173.73 11.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -143.43 153.52 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' A' ' 20' ' ' ILE . 55.5 t -138.74 134.66 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -116.77 106.72 13.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 48.6 m-85 -82.88 170.52 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.429 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 3.3 t -63.96 -32.15 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 58' ' ' VAL . 9.9 m120 -143.03 168.27 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.8 -51.27 35.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -43.74 -41.65 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -68.91 -41.82 77.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.492 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.09 -64.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -43.18 -39.93 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.39 -65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 40' ' ' TYR . . . -57.0 -50.05 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 84' ' ' LEU . 77.0 t -44.5 -32.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -36.4 12.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.23 -74.88 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.0 t70 -38.01 115.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.65 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.2 ttt180 -109.07 140.55 42.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.57 92.17 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -106.21 117.62 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.8 -2.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.11 4.02 35.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -125.73 151.64 46.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.65 147.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.0 mt -103.92 125.61 50.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -96.4 100.29 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -116.39 155.57 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.0 t30 -161.19 160.65 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.2 mt -77.49 135.44 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 77.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -169.43 -52.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 2.6 mt-10 -115.24 102.65 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.47 24.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.85 45.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.43 100.35 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -136.54 147.24 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -58.51 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.72 167.25 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.2 122.05 7.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.58 33.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.53 126.97 25.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -91.38 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.038 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 66.23 158.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.62 150.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 170.92 21.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -139.28 78.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 80.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.56 -152.28 17.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.52 86.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.459 ' O ' ' CG2' ' A' ' 9' ' ' THR . 15.3 t -86.13 64.2 8.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -133.92 148.41 68.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.68 159.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 t -171.83 106.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.9 82.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -141.97 77.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 36.7 t -147.03 109.16 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.4 ttm-85 -144.73 129.43 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.15 128.53 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -97.32 98.9 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.5 mt -85.29 116.35 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.51 12.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 50.55 42.83 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 53' ' ' ALA . 1.1 tt -92.81 114.02 26.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' ND2' HE22 ' A' ' 78' ' ' GLN . 56.9 t-20 -68.49 67.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' LEU . 32.7 p -57.77 -16.89 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.99 -12.58 61.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.02 -50.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.1 t -62.45 146.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.27 147.94 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -44.11 -49.14 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -33.33 65.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 1.9 t70 -69.28 -35.09 75.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 43.9 t -88.38 -17.52 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' SER . 7.2 mt-10 -90.63 -36.28 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.87 -46.5 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 85.1 mt -60.25 -31.02 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.41 -41.21 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.2 m -45.23 -25.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -73.82 -43.73 57.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 7.0 m-85 -65.61 -10.01 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.19 164.0 13.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -72.25 128.11 34.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 mt -94.84 139.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 17.1 m -110.53 -24.26 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.27 119.04 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -132.07 136.34 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.9 m -135.48 145.27 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 53' ' ' ALA . 77.3 t -129.56 120.11 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.7 m-70 -118.4 131.2 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 8.1 tttp -40.5 97.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.53 -37.89 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' HIS . 29.0 p90 -162.33 167.08 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' CB ' HD13 ' A' ' 23' ' ' LEU . . . -139.81 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -144.46 129.26 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.451 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 89.1 t -114.12 146.35 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.66 111.68 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -88.88 163.07 15.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.47 -37.41 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -131.69 168.43 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -73.21 -53.25 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.3 ttp180 -37.38 -46.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 27.5 m120 -59.97 -51.74 68.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -49.19 -60.25 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -48.16 -34.68 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -53.81 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -61.49 -50.96 70.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.2 t -43.92 -30.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.85 -34.73 13.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -81.01 -73.7 1.17 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.576 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 2.6 mm-40 -39.73 -70.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.3 t70 -36.23 112.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.86 22.95 7.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' NH1' HG22 ' A' ' 36' ' ' ILE . 9.4 ttt180 -105.52 134.95 47.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.29 88.59 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -99.01 122.77 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 72.53 5.71 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.95 55.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.441 HE22 ' ND2' ' A' ' 24' ' ' ASN . 1.2 mt-30 -121.12 142.62 49.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.32 146.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 75' ' ' ILE . 81.0 mt -104.24 122.43 45.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.15 100.26 13.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 1.8 mt -116.79 154.01 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.0 t30 -159.34 157.36 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.2 mt -75.89 132.49 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -63.3 81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -171.22 -52.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.88 105.88 54.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.63 22.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -22.68 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.62 104.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.08 97.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -97.37 101.44 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -97.52 156.51 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.69 95.51 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.75 93.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.76 120.48 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -171.99 134.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.38 145.56 16.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 -107.9 3.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.64 86.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.02 153.9 29.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.1 178.31 46.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.28 84.67 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.82 134.46 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.88 147.87 49.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 60.69 5.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.47 77.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.7 62.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.3 mmt -128.18 166.14 19.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -150.45 -62.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 51.6 p -87.16 100.34 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.51 141.57 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG1' HG22 ' A' ' 67' ' ' VAL . 49.9 t -129.4 131.21 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -102.64 100.79 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' ALA . 2.3 mp -86.57 107.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.06 176.91 22.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 79' ' ' VAL . 13.4 t30 42.59 38.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -96.44 114.3 25.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 6.3 t-20 -62.73 79.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' LEU . 68.9 p -73.03 2.37 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -90.1 -16.28 29.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 4.1 m -126.68 -50.85 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.6 t -66.86 150.15 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -177.58 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.5 -47.69 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -25.51 63.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.09 -30.52 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.2 t -94.8 -19.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -90.1 -21.34 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.15 -47.71 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.04 -30.76 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.8 m-85 -92.5 -15.3 27.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 -21.13 66.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -84.42 -4.89 59.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -109.51 15.46 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.39 -173.52 21.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -99.6 116.39 31.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -78.62 131.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.9 m -107.73 -30.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' HG21 ' A' ' 44' ' ' VAL . . . -150.04 115.12 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.89 146.82 52.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -148.35 151.58 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 77.1 t -130.1 114.37 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.4 m-70 -114.71 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.598 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -39.46 101.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.7 -30.71 3.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' HIS . 13.5 p90 -168.04 -171.6 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -156.54 161.37 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -130.93 139.43 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -126.01 148.22 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -134.72 107.89 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 50.6 m-85 -83.95 170.7 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.28 -26.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -146.82 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ARG . 6.4 tt0 -58.54 -53.25 60.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' GLU . 4.2 mtt180 -38.71 -44.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -63.6 -53.23 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.97 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' ALA . 11.2 ttt180 -38.71 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.19 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -58.03 -52.76 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG22 ' CG1' ' A' ' 18' ' ' VAL . 71.3 t -43.66 -29.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.84 -35.75 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -82.86 -74.36 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -38.43 -63.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t0 -39.94 106.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.35 -8.65 13.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.07 134.25 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.39 101.13 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 HG23 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -109.67 124.98 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 72.11 6.09 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.38 17.38 36.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.575 1.172 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.49 147.66 52.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 77.3 t -80.71 130.89 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 75' ' ' ILE . 63.4 mt -92.0 123.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.88 100.29 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -113.96 150.04 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -163.98 142.86 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER -60.93 129.08 39.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.33 77.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -169.52 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.43 120.17 59.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.74 16.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -88.71 47.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 t -108.46 131.86 57.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -43.62 -55.18 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 70.6 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.38 -70.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.3 160.27 21.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.89 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.91 144.39 46.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -133.33 140.09 47.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.46 81.97 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 109.956 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -48.33 -58.82 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.11 -131.57 42.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m 62.88 119.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.25 -58.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.07 -151.99 0.32 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.66 108.03 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -81.83 146.79 29.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -135.63 147.13 60.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 178.91 -50.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 t -64.58 166.03 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.08 86.49 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -144.67 77.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -126.63 100.74 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -144.2 141.42 29.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' CG1' HG22 ' A' ' 67' ' ' VAL . 45.4 t -128.57 130.87 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -104.16 99.28 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.5 mp -82.92 121.51 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -116.76 174.21 15.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' GLY . 7.7 t30 39.46 50.99 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.81 116.39 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.5 t-20 -64.3 77.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' LEU . 27.4 p -71.23 2.01 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.73 -15.92 31.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.8 -50.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -64.33 149.55 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 5.0 tptt -117.21 143.42 45.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -41.37 -55.77 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.2 m -46.16 -37.85 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LYS . 4.1 m-20 -65.59 -35.48 80.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.3 t -85.6 -19.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.9 mt-10 -90.04 -24.92 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -90.03 -47.18 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 65.1 mt -59.83 -30.77 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.39 -14.34 28.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -67.59 -11.09 57.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.75 -27.29 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 35.5 m-85 -90.86 20.6 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.43 177.95 15.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -89.24 133.87 34.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -91.85 137.83 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -110.07 -26.4 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.34 116.71 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.5 t -125.55 149.37 48.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.04 145.22 29.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 41.5 t -128.81 124.37 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' GLY . 31.9 m-70 -118.05 150.69 38.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -62.02 81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 145.08 -22.95 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -170.12 -171.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . -159.06 166.63 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.1 135.04 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 57' ' ' TYR . 72.5 t -120.6 141.26 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -125.79 108.9 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CE1' HG11 ' A' ' 55' ' ' VAL . 83.1 m-85 -85.41 169.63 13.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.99 -33.35 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -135.84 160.36 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' ALA . 44.5 tt0 -70.13 -50.64 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.5 ttt85 -37.6 -47.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 40' ' ' TYR . 2.4 m120 -68.03 -47.31 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -49.39 -65.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -46.47 -36.73 6.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.63 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.568 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -55.53 -51.0 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' CG1' ' A' ' 18' ' ' VAL . 3.3 t -52.88 -22.74 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.88 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.79 -73.44 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 66' ' ' ALA . 1.7 mm-40 -39.47 -66.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 32.9 t70 -39.57 104.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.85 18.47 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -98.81 135.18 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.24 93.7 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -101.94 119.42 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.34 4.35 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.93 7.26 50.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.79 147.71 50.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.25 154.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 95.0 mt -111.67 127.38 55.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLY . 38.8 t70 -92.97 100.01 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -115.58 154.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 p-10 -164.75 140.01 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' ALA . 2.6 mt -61.91 127.03 29.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -159.26 -64.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -108.8 113.14 59.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -6.87 18.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 42.67 47.84 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -99.48 142.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -118.91 107.74 13.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -98.18 101.81 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.27 109.82 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -123.11 -157.25 9.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 87.86 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 t 58.57 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 90.83 3.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -104.7 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 t -179.15 89.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.52 -172.53 0.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -150.48 -59.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p 41.61 87.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.61 74.79 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.88 98.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.84 112.97 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.82 151.34 68.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.01 19.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.86 76.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.09 83.51 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.2 169.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.86 58.5 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -110.06 98.08 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -142.06 133.13 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.5 125.22 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -95.87 100.24 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 55' ' ' VAL . 2.3 mp -85.96 101.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.41 179.63 30.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 40.56 34.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -90.21 114.1 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.439 ' OD1' ' NE2' ' A' ' 78' ' ' GLN . 0.4 OUTLIER -64.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LEU . 24.9 p -75.1 2.55 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -88.41 -8.23 55.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 24' ' ' ASN . 4.4 m -137.25 -49.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.49 150.43 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 179.81 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.26 -45.86 53.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.5 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 64.9 m-20 -81.5 -29.8 33.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 93.7 t -94.65 -13.99 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -90.39 -39.34 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.91 -33.69 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 77.7 mt -71.63 -34.06 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.7 m-85 -92.53 -12.29 32.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -67.03 -9.15 36.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 2.9 ptmt -96.73 -0.12 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 19.6 m-85 -117.03 20.05 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.54 171.02 13.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -82.65 130.39 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -91.34 133.34 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 8.9 m -109.85 -29.65 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -147.89 119.32 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.41 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 19.4 p -132.25 144.81 50.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.418 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 1.6 p -149.17 138.35 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 72.5 t -122.37 112.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 17.9 m-70 -111.48 129.63 55.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -39.91 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.19 -33.77 2.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -163.39 -172.83 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -154.51 157.42 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -128.17 122.69 32.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.517 HG11 ' CE1' ' A' ' 57' ' ' TYR . 24.5 t -109.34 149.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -135.54 109.17 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CE1' HG11 ' A' ' 55' ' ' VAL . 48.3 m-85 -85.98 170.92 11.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.9 -28.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -139.77 159.72 41.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.6 tt0 -70.5 -51.99 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -47.24 -40.73 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -71.07 -30.39 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -70.9 -65.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 7.4 ttm180 -40.47 -33.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.74 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -55.1 -40.93 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 84' ' ' LEU . 79.2 t -54.75 -29.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.81 -34.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.7 -74.16 1.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.1 mm-40 -39.83 -65.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' GLU . 16.7 t70 -38.59 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.41 24.12 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -104.0 134.07 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.55 93.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -108.88 121.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 81.2 0.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.46 -6.75 39.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.4 mt-30 -116.71 154.41 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.56 151.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 75' ' ' ILE . 72.0 mt -107.03 127.01 53.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' OD2' ' CE ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -96.93 100.7 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.6 mt -113.67 153.65 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -164.44 144.0 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -61.89 129.41 40.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -168.86 -58.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.38 108.06 59.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.67 8.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' CE ' ' OD2' ' A' ' 81' ' ' ASP . 8.3 pttm -71.15 63.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -96.84 136.54 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -58.31 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.58 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.0 p -64.79 146.85 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.33 80.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.12 6.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 p 170.65 122.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 m 54.64 169.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -71.15 160.26 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 p -43.65 166.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.66 -107.16 1.79 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -115.4 140.11 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -169.19 102.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.23 -112.59 1.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -89.7 167.0 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.62 70.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.67 155.74 47.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.06 7.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -170.09 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.51 -56.74 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.32 90.87 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -157.82 75.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 11.9 p -126.57 98.29 5.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 1.6 ttm105 -142.64 128.21 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' HG22 ' A' ' 67' ' ' VAL . 57.1 t -113.75 134.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.96 100.05 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' HG21 ' A' ' 55' ' ' VAL . 2.5 mp -84.47 121.51 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.36 171.47 14.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.77 51.48 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -104.59 114.16 28.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.447 ' OD1' ' NE2' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -62.83 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.9 p -74.77 2.96 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.35 -7.88 55.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG21 ' HB3' ' A' ' 24' ' ' ASN . 4.3 m -138.37 -50.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.77 150.77 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 -177.33 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.76 -45.32 37.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -57.4 -29.49 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 3.5 t70 -70.55 -30.59 67.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.1 t -91.1 -19.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 7.0 mt-10 -89.63 -27.1 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.98 -48.23 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -58.78 -31.25 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.93 -16.16 25.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -63.31 -12.37 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.65 0.25 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 10.8 m-85 -118.33 20.05 13.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.15 170.81 13.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -82.03 132.17 35.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.2 mt -93.02 132.13 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 9.5 m -104.87 -25.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -153.25 126.73 2.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 11.6 p -132.74 147.37 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 p -149.42 137.72 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 73.0 t -130.49 108.95 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' PHE . 28.3 m-70 -111.11 129.19 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.49 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.07 -26.14 5.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 52.9 p90 -168.78 -167.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.33 173.24 9.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 19' ' ' PHE . 6.8 m-85 -147.87 148.8 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 20' ' ' ILE . 6.9 t -129.86 153.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -136.49 104.08 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 70.5 m-85 -81.33 170.61 15.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.19 -31.63 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -133.34 174.39 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -83.23 -48.82 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -47.97 -35.05 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -72.92 -46.11 54.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -56.29 -63.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -42.93 -38.86 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.86 -63.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . . . -54.36 -50.09 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG22 ' CG1' ' A' ' 18' ' ' VAL . 24.5 t -50.92 -23.96 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -31.9 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -92.84 -74.32 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 2.1 mm-40 -37.42 -67.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.6 t70 -39.22 112.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.94 23.9 6.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -102.21 138.02 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.97 89.58 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -98.27 119.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.06 0.45 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.52 1.02 37.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -119.61 145.36 46.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.8 151.46 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 75' ' ' ILE . 81.8 mt -108.62 123.24 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.7 t70 -92.21 99.56 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -115.07 156.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 5.0 t30 -163.64 160.84 23.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -78.56 135.87 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.39 76.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -164.46 -55.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 5.1 mt-10 -110.58 114.5 54.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.87 15.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.11 54.41 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.54 122.61 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 74.09 -64.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -172.31 132.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.29 117.46 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.44 115.65 0.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.39 40.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -176.67 122.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.7 t -106.12 -58.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p -68.33 123.48 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.761 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.24 91.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.42 98.63 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 p -128.02 147.35 50.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -148.28 136.57 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 124.86 2.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.6 144.79 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -123.88 154.06 40.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -134.53 145.52 55.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.41 33.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -158.03 159.86 36.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p -110.25 125.13 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt 38.21 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -156.45 76.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 4.4 p -134.63 97.45 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.23 130.55 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 67' ' ' VAL . 48.3 t -115.51 129.7 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -101.06 99.7 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.55 120.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.57 174.75 15.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.9 t30 38.85 47.92 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -104.92 114.25 28.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.82 79.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' LEU . 57.9 p -74.55 2.84 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.37 -7.26 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.29 -49.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.35 140.68 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -177.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.28 -40.19 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -19.54 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 1.1 m-20 -82.02 -30.89 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 46.6 t -93.92 -12.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 38' ' ' SER . 8.3 mt-10 -89.72 -45.33 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -21.71 58.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 37.3 mt -81.08 -36.45 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -93.0 -22.48 19.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -65.56 -16.35 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -10.65 54.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 66' ' ' ALA . 5.4 m-85 -101.86 -0.6 33.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.01 159.18 8.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.12 131.67 48.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.01 133.74 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.5 m -109.77 -24.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -146.99 121.26 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 12.1 p -131.68 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -149.16 142.67 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 30' ' ' LYS . 62.4 t -131.9 115.55 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 70.4 m-70 -115.94 125.55 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 12.1 mttp -39.9 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.25 -11.79 6.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 18.9 p90 174.73 -176.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -156.03 173.28 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -149.9 139.39 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -127.47 144.72 36.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -125.97 112.16 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 85.8 m-85 -88.7 170.27 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.55 -30.97 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -143.42 149.13 37.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.9 tt0 -57.9 -48.32 80.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.3 mtm180 -37.71 -47.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -68.58 -46.76 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.88 -63.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -43.66 -40.19 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 -62.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -54.36 -52.47 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 18' ' ' VAL . 22.2 t -49.16 -24.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.18 -31.7 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.43 -73.3 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 2.1 mm-40 -36.84 -72.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -38.63 122.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.41 27.14 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.73 90.4 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -101.97 117.07 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.49 -3.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.27 6.15 29.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -129.13 150.73 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.36 154.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 75' ' ' ILE . 68.6 mt -109.99 125.44 52.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' GLY . 35.7 t70 -94.88 99.64 11.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -118.23 156.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -164.99 161.03 19.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.6 mt -77.91 128.86 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.4 73.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -161.38 -49.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -115.72 95.65 44.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.9 22.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 47.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 t -106.78 123.78 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.93 106.77 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -68.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -168.07 144.91 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.02 -84.96 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.83 39.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.8 t -162.32 118.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.1 p -171.4 136.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -167.11 -58.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -118.95 151.1 38.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.28 163.87 34.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -87.07 163.96 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -166.18 142.82 5.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 153.81 24.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.45 51.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -114.61 76.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -131.69 135.45 26.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -167.02 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.44 141.28 41.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 157.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -82.67 86.85 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -152.61 75.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -139.14 98.25 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.63 142.93 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' CG1' HG21 ' A' ' 67' ' ' VAL . 47.2 t -130.55 124.43 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -97.62 99.71 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.4 mp -83.57 103.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -99.3 178.39 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.9 t30 39.49 37.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -99.84 116.03 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t-20 -62.79 78.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' LEU . 29.2 p -72.68 1.86 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -89.45 -16.37 30.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.26 -48.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.28 150.65 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -121.88 143.39 49.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.16 -38.31 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 4.4 t -57.2 -49.25 76.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 14.0 m-20 -61.05 -28.46 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 95.6 t -88.64 -15.46 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' SER . 5.3 mt-10 -90.0 -44.8 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 32' ' ' ASP . 71.9 mt -80.44 -35.62 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.0 m-85 -92.12 -12.58 32.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -64.32 -15.72 60.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -28.58 22.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 70' ' ' GLU . 25.1 m-85 -84.27 10.74 9.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.34 166.42 11.38 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -76.39 126.93 31.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -90.92 130.58 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.8 m -106.19 -25.66 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.74 122.41 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.2 p -130.88 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.36 139.98 22.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 30' ' ' LYS . 86.4 t -126.4 112.83 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 83.1 m-70 -113.86 127.22 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 4.1 mttt -39.63 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.18 -17.46 7.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 34.7 p90 179.27 -167.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.34 158.77 30.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -124.79 129.42 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 25.6 t -118.45 141.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 3.4 tp60 -126.69 116.05 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 47.4 m-85 -91.13 170.79 9.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.61 -30.86 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 170.68 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -74.19 -53.57 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.86 -38.02 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.92 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -75.85 -65.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -38.8 -39.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.3 -63.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -57.58 -51.62 68.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' CG1' ' A' ' 18' ' ' VAL . 71.7 t -44.37 -30.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -33.45 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -85.97 -74.9 1.26 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 26.1 mm-40 -39.66 -62.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.4 t70 -38.98 110.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.21 22.1 7.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -98.7 136.1 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.79 95.0 9.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -106.39 122.94 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 77.04 1.9 3.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.39 4.25 46.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 150.58 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.9 153.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 84.9 mt -112.79 126.65 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 100.42 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mt -113.47 153.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -164.6 141.56 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.3 mt -61.72 125.24 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.04 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -172.13 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -123.28 106.4 33.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.01 16.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 39.78 34.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.96 117.61 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -50.03 -61.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 mtp85 -49.79 130.98 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.4 m -44.3 -61.68 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.89 96.72 1.03 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -156.91 152.51 26.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 m 41.62 78.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.1 96.38 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -84.07 -58.76 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.44 -69.71 0.57 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -115.09 113.74 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.57 95.56 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.49 145.12 26.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.71 89.48 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.0 p -50.01 109.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.44 163.1 60.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.45 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.29 -48.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.78 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.52 158.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 61.79 73.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 60' ' ' GLU . 2.0 m -121.81 97.57 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.68 138.31 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 67' ' ' VAL . 47.4 t -121.9 120.42 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -93.16 105.13 17.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' HG21 ' A' ' 55' ' ' VAL . 2.4 mp -89.89 113.1 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -110.13 179.85 20.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLY . 35.3 t30 39.82 34.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -83.7 113.99 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -69.41 61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' LEU . 59.9 p -50.4 -23.62 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.01 -14.09 51.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.02 -46.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.5 149.89 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 3.2 tptt -121.81 155.13 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 tttt -49.07 -57.32 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -49.94 -37.0 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.62 -35.57 80.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 56.7 t -85.14 -19.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LYS . 14.3 mt-10 -90.32 -30.03 17.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -81.96 -47.97 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CG2' ' OE2' ' A' ' 70' ' ' GLU . 64.2 mt -60.16 -32.58 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.71 -12.22 32.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -68.21 -16.61 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.63 -12.74 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 16.9 m-85 -102.36 25.07 9.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.58 175.24 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 127.05 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.7 mt -88.22 136.75 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.1 m -109.73 -27.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.45 117.94 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.7 t -133.09 145.72 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -147.51 150.72 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.81 118.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLY . 59.0 m-70 -116.78 133.0 56.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 7.4 tttt -40.01 98.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.52 -38.55 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -157.59 -172.2 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.31 170.83 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.48 144.79 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 57' ' ' TYR . 7.8 t -130.87 143.02 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.9 106.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 53.9 m-85 -82.64 165.85 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.84 -39.98 42.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -136.65 166.96 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 16' ' ' SER . 9.9 tt0 -66.84 -43.72 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 62' ' ' ASN . 20.0 ptt180 -52.13 -40.35 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 6.7 m-20 -71.04 -25.07 62.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -82.08 -44.41 16.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.25 -26.59 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.609 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -61.5 -38.71 88.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.522 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 4.8 t -63.12 -19.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.27 -22.03 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -104.95 -74.82 0.98 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 38.2 mm-40 -35.87 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.522 ' OD1' ' HA ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -35.83 104.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.79 8.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -92.93 132.21 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.731 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.59 87.53 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 28.1 mt -107.01 120.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 82.54 1.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.16 -7.59 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.27 141.89 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.48 110.19 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.16 126.63 29.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 99.91 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' HB ' ' CG ' ' A' ' 71' ' ' ASP . 8.9 mt -117.51 153.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -166.57 144.02 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 67' ' ' VAL . 1.9 mt -61.95 126.64 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.03 83.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.24 -50.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.28 101.64 46.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.15 27.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -54.98 -20.18 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.0 t -72.14 101.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -91.4 126.89 36.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.38 -53.57 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.03 148.94 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.99 36.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.16 115.17 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.7 p 44.94 84.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -169.39 136.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -100.51 146.99 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 62.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -135.82 112.09 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -126.04 114.52 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.25 -152.64 21.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.52 97.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.5 t -166.34 163.6 17.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -139.12 151.84 68.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -175.64 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.42 106.93 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.29 148.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.62 80.01 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -147.16 72.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 60' ' ' GLU . 33.4 t -145.85 107.55 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -141.17 131.7 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.11 132.26 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.53 102.1 12.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 2.4 mp -88.09 121.01 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.71 175.74 15.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 1.7 t30 45.2 35.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 0.724 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -87.51 113.69 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 78' ' ' GLN . 0.2 OUTLIER -67.9 78.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.7 p -73.27 2.55 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.18 -8.7 50.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -138.5 -50.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.09 150.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.7 tptt -115.37 148.54 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -45.28 -56.83 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -27.06 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 3.7 t0 -71.46 -30.27 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 44.7 t -93.22 -18.42 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.59 -24.16 20.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.9 -44.8 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.2 mt -61.41 -32.37 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.7 m-85 -92.61 -13.38 29.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.89 -23.29 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -5.17 54.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.579 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 7.0 m-85 -112.59 23.38 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.9 166.63 12.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -81.74 117.76 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mt -79.4 128.22 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.2 m -96.83 -27.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.18 124.12 1.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.0 t -132.7 141.47 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -135.39 147.58 49.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.935 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 t -133.43 119.03 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.3 m-70 -118.61 131.93 56.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -41.2 97.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.79 -34.74 2.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 17.3 p90 -160.19 -171.35 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.77 170.5 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.64 153.36 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG11 ' CE1' ' A' ' 57' ' ' TYR . 24.3 t -136.26 136.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -120.24 108.51 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 77.4 m-85 -87.25 159.18 18.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.71 -31.49 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -133.55 159.45 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -68.08 -52.23 37.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -42.71 -39.45 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.492 ' HB3' ' CD2' ' A' ' 57' ' ' TYR . 69.4 m-20 -63.86 -44.09 94.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.497 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -55.56 -64.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -45.75 -42.42 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.579 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -55.4 -51.66 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.88 -24.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.03 -32.42 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.78 -74.38 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 3.7 mm-40 -36.88 -67.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.738 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' GLU . 6.5 t70 -39.39 120.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.68 25.89 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' NH1' HD13 ' A' ' 36' ' ' ILE . 6.4 ttt180 -107.37 135.34 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.37 90.63 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -104.0 118.27 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 83.62 -2.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.45 -9.72 28.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.2 mt-30 -113.96 155.71 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.6 146.82 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 22' ' ' ASN . 92.2 mt -100.48 125.82 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.83 100.49 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.3 mt -109.4 161.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 7.3 t30 -164.63 160.5 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -80.16 136.34 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -65.54 75.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -165.91 -54.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 2.9 mt-10 -115.79 112.42 42.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.05 22.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -91.89 47.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 t -106.99 139.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.32 110.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 61.22 140.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 p -49.49 -58.37 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.072 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 150.92 156.88 7.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -42.74 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.7 t -112.6 153.72 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t 59.35 157.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -163.99 93.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -98.03 130.51 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.66 83.66 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 164.32 8.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -59.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.34 120.18 4.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -118.06 89.58 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -81.14 125.1 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.67 156.48 58.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.66 2.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 73.61 -61.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.14 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.072 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.16 96.24 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -161.4 72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.8 p -128.36 97.66 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 2.5 ttt180 -137.95 147.25 44.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG1' HG22 ' A' ' 67' ' ' VAL . 48.9 t -133.44 134.51 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -106.42 98.7 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' ALA . 2.4 mp -82.34 113.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -112.3 174.02 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.4 t30 39.81 51.55 2.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.12 116.94 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.483 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.9 t-20 -62.32 79.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' LEU . 79.9 p -72.82 2.76 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.72 -15.23 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -127.32 -51.62 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.6 t -65.43 149.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' ASP . 4.0 tptt -120.29 153.02 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.07 -56.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -46.82 -43.45 18.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 m-20 -61.88 -31.35 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 42.7 t -87.76 -19.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.5 mt-10 -90.24 -25.2 20.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -87.82 -40.47 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 89.4 mt -67.45 -32.91 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -91.97 -12.66 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -67.48 -10.27 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -95.31 -6.93 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 13.0 m-85 -108.33 23.46 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.49 171.04 13.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -81.95 122.28 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mt -83.05 130.2 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -103.08 -24.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' N ' HG21 ' A' ' 44' ' ' VAL . . . -162.48 121.98 1.07 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 t -130.17 141.55 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -140.47 149.56 42.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' N ' ' HD2' ' A' ' 30' ' ' LYS . 49.7 t -131.14 107.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 18.4 m-70 -105.93 126.63 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -38.56 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.7 7.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 49' ' ' HIS . 8.5 p90 -172.47 -171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -153.25 169.33 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -143.66 130.09 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.5 t -118.93 148.63 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -132.28 111.2 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 68.7 m-85 -88.07 169.2 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.14 -38.22 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 175.47 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -53.71 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -41.41 -31.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 30.4 m120 -77.89 -51.03 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.567 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.15 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 18.5 ttm180 -38.19 -34.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 62' ' ' ASN . . . -50.95 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.575 ' HB1' ' CD2' ' A' ' 40' ' ' TYR . . . -56.76 -49.88 73.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' CG1' ' A' ' 18' ' ' VAL . 78.1 t -47.07 -30.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.5 -34.6 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -82.84 -74.67 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' ALA . 2.0 mm-40 -39.98 -67.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.4 t70 -36.93 112.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.98 24.24 6.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -106.63 136.83 45.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.08 93.37 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -102.71 117.93 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 75' ' ' ILE . . . 78.76 -0.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.06 -9.78 29.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -108.14 152.5 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.96 147.03 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 75' ' ' ILE . 55.2 mt -104.48 118.07 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 100.16 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -111.67 153.4 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.1 p-10 -161.2 141.1 10.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 64' ' ' ARG . 1.1 mt -61.85 127.27 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -173.7 -61.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -103.26 107.7 56.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.19 117.57 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.91 106.52 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.26 147.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m -155.68 -76.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.16 -118.14 3.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.37 30.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.2 m -78.57 153.8 30.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -142.72 122.72 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.08 -52.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m 57.62 163.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.38 165.4 12.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -116.52 162.17 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -179.69 97.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.75 76.99 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.99 105.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.354 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.0 p -126.77 -55.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.62 150.14 74.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.11 42.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -65.59 152.23 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -108.65 -57.86 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -140.19 83.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -146.12 76.09 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 12.9 t -120.31 100.31 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -147.68 135.76 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 67' ' ' VAL . 93.7 t -128.0 124.33 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -95.38 115.44 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.595 ' CD1' ' N ' ' A' ' 20' ' ' ILE . 1.6 mp -95.93 101.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -95.47 176.38 33.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' GLY . 15.1 t30 39.5 48.17 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -101.16 113.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' HB3' HG21 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -64.39 80.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 HG22 ' CG1' ' A' ' 48' ' ' VAL . 44.6 p -73.39 2.74 7.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.97 -7.82 56.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 24' ' ' ASN . 4.2 m -140.1 -50.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' CB ' ' A' ' 32' ' ' ASP . 3.2 t -65.69 150.47 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 -177.75 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HD2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.08 -21.09 51.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -82.9 -9.92 59.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.473 ' CB ' HG12 ' A' ' 28' ' ' VAL . 1.1 t70 -84.76 -34.06 22.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.64 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 38.8 t -94.47 -14.1 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 25.5 mt-10 -90.71 -31.33 16.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.92 -55.77 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 84.1 mt -50.29 -29.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.4 m-85 -92.36 -26.82 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -53.24 -32.63 49.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.42 -32.11 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 69' ' ' GLY . 11.3 m-85 -84.05 10.73 9.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.43 169.71 11.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.36 127.74 33.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 34' ' ' GLU . 80.6 mt -90.06 136.43 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 19.3 m -106.85 -26.8 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.422 ' N ' HG21 ' A' ' 44' ' ' VAL . . . -159.7 121.39 1.04 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 29.5 t -133.11 135.43 45.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -133.4 152.28 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HG22 ' A' ' 25' ' ' THR . 86.4 t -133.79 121.0 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 93.0 m-70 -115.59 134.01 55.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.554 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -40.16 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.62 -41.17 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 10.3 p90 -152.66 -169.16 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.43 177.87 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -143.42 152.29 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 57' ' ' TYR . 43.5 t -136.29 131.63 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -118.27 110.76 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.533 ' CE1' HG12 ' A' ' 55' ' ' VAL . 41.4 m-85 -87.67 170.14 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.87 -24.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -143.53 164.62 29.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ALA . 5.2 tm-20 -71.99 -49.72 34.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -46.06 -39.01 8.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -70.11 -36.13 74.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.41 -64.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -47.55 -44.92 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.6 -59.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.44 -51.75 67.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 HG23 ' CG1' ' A' ' 18' ' ' VAL . 78.4 t -43.42 -30.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.9 -34.17 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -82.98 -74.96 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 1.5 mm-40 -42.87 -62.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.416 ' N ' HD13 ' A' ' 82' ' ' ILE . 29.8 t70 -39.87 117.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.66 21.26 9.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -98.97 137.09 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 95.97 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.446 HG21 ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -108.44 120.8 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 77.79 7.7 2.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.18 -7.07 58.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.435 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -114.75 153.71 29.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.79 152.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' HG21 ' A' ' 75' ' ' ILE . 99.0 mt -106.02 129.26 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.75 100.73 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.6 mt -110.6 156.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -164.73 140.14 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.2 mt -62.12 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 78.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -170.54 -57.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.25 103.74 55.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -7.68 19.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 39.47 36.45 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.07 98.27 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 48.83 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.12 163.5 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 p -146.68 165.33 29.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.86 -117.79 4.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.63 41.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 m -160.49 -55.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.71 -58.46 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.4 ttt85 -141.26 150.21 42.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 56.2 t -139.58 121.11 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.72 99.15 11.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.03 107.75 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.07 174.53 22.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t30 46.02 40.72 7.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.41 114.04 26.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.51 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.4 t-20 -69.59 65.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.9 p -55.72 -18.11 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.21 -13.58 62.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.97 -48.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -70.13 143.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -179.28 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.31 -43.47 56.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -63.03 -23.39 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -76.08 -32.2 59.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.747 HG13 ' CE1' ' A' ' 37' ' ' PHE . 91.9 t -94.51 -16.3 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.7 mt-10 -90.44 -28.4 18.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.4 -45.02 9.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.9 mt -60.76 -31.07 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.747 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.1 m-85 -92.35 -12.88 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -67.94 -10.08 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -93.41 -12.52 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 14.4 m-85 -106.27 19.75 20.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.33 155.64 9.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.64 134.03 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -94.71 127.35 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.7 m -99.76 -32.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.61 116.72 0.79 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.687 ' SG ' HG22 ' A' ' 55' ' ' VAL . 52.4 t -132.86 138.57 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -144.15 147.86 34.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 53' ' ' ALA . 26.5 t -131.44 121.12 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' GLY . 67.1 m-70 -118.68 132.9 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.2 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.93 -34.72 2.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -163.35 -172.0 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -159.39 161.2 35.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -131.09 136.54 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.7 t -122.37 142.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -130.33 109.17 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 60.6 m-85 -85.31 170.99 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.66 -33.45 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.45 157.04 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -53.64 49.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -39.02 -44.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.794 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 15.1 m120 -64.17 -55.42 21.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.27 -62.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 84' ' ' LEU . 6.4 ttm-85 -45.57 -29.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -60.95 -61.25 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -57.07 -52.34 65.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 72.7 t -44.09 -30.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.74 -34.48 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -84.24 -74.39 1.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.789 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -38.47 -66.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 t70 -39.69 112.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.85 22.42 6.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -103.34 136.54 42.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.25 92.47 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -101.89 120.8 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.21 1.78 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.78 -0.03 39.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.52 150.04 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.11 153.57 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD21 HG22 ' A' ' 75' ' ' ILE . 88.4 mt -111.03 128.9 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 100.88 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.9 mt -115.55 153.81 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -164.78 144.0 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.16 128.03 34.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.31 76.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 4.0 ttt180 -139.44 133.34 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 67' ' ' VAL . 57.6 t -119.95 134.17 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -103.8 98.95 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.58 ' HA ' HG23 ' A' ' 82' ' ' ILE . 2.6 mp -84.21 115.01 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -110.74 176.81 19.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 40.67 41.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 0.785 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -93.47 114.27 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' VAL . 45.8 t-20 -68.8 66.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.4 p -58.74 -15.73 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.86 -12.1 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.92 -51.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -69.47 138.42 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.85 -178.31 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.665 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.93 -36.89 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -25.37 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.673 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 m-20 -77.6 -34.28 53.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 23' ' ' LEU . 90.1 t -90.51 -12.78 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CG ' ' SG ' ' A' ' 46' ' ' CYS . 9.1 mt-10 -90.65 -39.4 12.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -49.01 13.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.8 mt -56.04 -32.49 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.712 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -93.43 -14.58 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -65.38 -10.96 37.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.06 -30.48 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.4 m-85 -82.09 2.74 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.45 160.06 8.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -71.38 133.86 46.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 37' ' ' PHE . 65.1 mt -93.75 135.05 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 56' ' ' GLN . 10.2 m -105.73 -28.42 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.16 120.2 0.95 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 43' ' ' ILE . 20.5 p -132.97 152.71 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.33 148.46 29.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.665 HG23 ' HD2' ' A' ' 30' ' ' LYS . 78.0 t -130.41 120.36 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 13.9 m80 -118.81 130.43 55.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.07 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.21 -37.74 2.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.9 p90 -155.18 -170.67 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -160.99 167.58 26.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.7 m-85 -137.32 151.49 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' CD1' ' A' ' 20' ' ' ILE . 13.1 t -138.68 138.38 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.2 tp60 -124.5 102.96 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 62' ' ' ASN . 70.7 m-85 -78.06 170.87 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.32 -23.19 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.67 144.01 24.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 tt0 -52.14 -47.61 65.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -39.18 -46.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.733 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 76.7 m-20 -67.15 -45.93 75.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.11 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -46.88 -37.02 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -51.6 -61.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.471 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -59.71 -53.42 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.793 ' CG2' HG13 ' A' ' 18' ' ' VAL . 5.2 t -46.64 -26.86 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.93 -32.74 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -89.67 -74.01 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.805 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.8 mm-40 -37.24 -67.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 5.1 t70 -39.88 113.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.8 22.82 6.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -103.89 137.04 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.73 92.43 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -103.34 119.01 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.12 5.67 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.2 -2.97 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.86 150.85 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.05 150.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 75' ' ' ILE . 84.9 mt -106.11 128.7 54.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -97.54 100.53 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.805 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -114.58 155.4 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 11.9 t30 -158.56 162.95 37.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.03 136.43 36.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.13 73.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 24.1 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -147.69 128.45 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.863 HG13 HG22 ' A' ' 67' ' ' VAL . 59.3 t -113.63 133.25 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -102.29 98.76 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.593 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -83.78 115.64 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -117.82 157.2 15.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 t30 62.8 36.14 13.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -88.06 114.44 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.1 t-20 -70.26 64.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.2 p -54.08 -19.08 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.84 -12.29 53.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.89 -47.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.1 t -72.75 137.49 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -177.44 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.43 -45.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -21.69 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.79 -30.05 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 59.7 t -94.57 -15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.6 mt-10 -90.19 -37.88 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.69 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG23 ' NH1' ' A' ' 73' ' ' ARG . 80.4 mt -58.02 -32.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.6 m-85 -93.17 -13.49 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -65.65 -11.28 43.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -96.34 -4.97 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 10.2 m-85 -110.33 16.11 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 160.69 10.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -73.02 130.86 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.4 mt -92.36 134.84 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.8 m -109.65 -28.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -148.63 119.6 1.09 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.1 p -132.8 145.97 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.41 130.32 14.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.5 t -118.17 117.33 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.5 m80 -116.32 134.03 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -45.8 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 132.7 -30.27 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -162.19 -166.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -170.41 159.45 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.29 140.52 47.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' CD1' ' A' ' 20' ' ' ILE . 18.1 t -124.56 149.29 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -134.05 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 75.6 m-85 -82.52 170.82 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.55 -37.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -128.36 166.0 19.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' ALA . 1.1 tm-20 -74.95 -54.99 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -42.07 -29.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 25.6 m120 -78.33 -49.28 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -53.72 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HB2' HD11 ' A' ' 84' ' ' LEU . 42.2 ttt180 -43.88 -34.95 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.84 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -56.44 -51.22 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.863 HG22 HG13 ' A' ' 18' ' ' VAL . 38.0 t -47.67 -27.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.69 -34.25 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -85.53 -74.37 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.774 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.4 mm-40 -38.6 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' GLU . 21.5 t70 -37.92 118.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.84 27.69 6.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.701 ' NH1' HG23 ' A' ' 36' ' ' ILE . 10.9 ttt180 -110.83 138.95 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.15 91.83 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.747 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.3 118.24 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.96 -2.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.12 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -117.87 152.55 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.93 140.29 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD21 HG22 ' A' ' 75' ' ' ILE . 83.0 mt -95.09 126.51 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -96.45 100.45 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -117.16 155.82 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -160.79 162.14 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.528 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -78.36 135.31 37.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.5 74.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 20.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.844 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -136.61 146.57 46.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.003 HG13 HG22 ' A' ' 67' ' ' VAL . 54.6 t -134.01 127.45 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -98.98 99.15 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.903 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mt -84.52 114.88 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 165.52 12.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.81 34.33 24.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -84.3 113.8 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.457 ' HB3' HG23 ' A' ' 28' ' ' VAL . 21.6 t30 -73.14 63.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.5 p -50.02 -22.08 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.03 -12.22 53.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.43 -47.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' ' 24' ' ' ASN . 1.9 t -76.23 140.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -110.91 -177.71 3.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.56 -40.16 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -24.5 67.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.681 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.29 -35.45 55.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 96.3 t -89.63 -13.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 8.7 mt-10 -90.46 -37.69 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.11 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 32' ' ' ASP . 88.3 mt -66.53 -34.81 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.5 m-85 -92.81 -12.57 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -64.19 -27.0 68.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -77.02 -43.06 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 17.1 m-85 -63.6 -10.99 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.85 170.75 17.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -76.8 138.48 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 37' ' ' PHE . 95.9 mt -101.65 134.03 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -107.35 -28.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -151.75 118.29 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.527 ' HB3' HG21 ' A' ' 43' ' ' ILE . 30.0 p -132.57 147.66 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.43 141.08 23.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 30' ' ' LYS . 92.9 t -126.8 119.73 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 60.6 m-70 -118.65 130.93 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -40.22 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.43 -37.89 2.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 11.7 p90 -156.69 -171.11 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 0.772 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -162.7 166.54 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -140.07 140.84 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.903 HG23 ' CD1' ' A' ' 20' ' ' ILE . 55.6 t -125.75 147.37 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.03 105.14 7.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.612 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 38.7 m-85 -80.0 167.0 21.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.14 -37.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -128.3 175.0 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -81.73 -51.73 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -47.01 -36.82 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m-20 -68.24 -47.99 66.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -58.23 -64.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 84' ' ' LEU . 4.0 ttm-85 -42.57 -31.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -54.15 -60.62 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.87 -51.26 68.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.003 HG22 HG13 ' A' ' 18' ' ' VAL . 71.6 t -45.71 -28.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.17 -33.0 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -87.41 -73.65 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.891 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.9 mm-40 -36.46 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.76 109.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.08 20.38 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -105.08 135.64 46.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.61 99.33 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.69 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -112.25 116.86 53.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.67 -6.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.16 -8.77 15.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.28 154.96 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.5 t -87.63 132.37 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 75' ' ' ILE . 57.7 mt -84.54 125.17 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -92.86 100.68 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.891 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.3 mt -115.65 151.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 17.6 p-10 -161.97 142.05 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.844 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.3 mt -62.13 126.1 26.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -64.69 82.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 92.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -152.52 128.07 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 38.9 t -118.25 128.68 75.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -102.85 99.22 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -83.62 121.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -115.8 175.26 15.76 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 9.2 t30 40.07 47.71 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -97.15 115.4 27.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.3 t30 -69.06 64.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 23' ' ' LEU . 37.5 p -55.37 -18.2 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.5 mt -63.76 -15.02 57.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.22 -47.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -73.43 132.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -177.52 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -71.1 -45.65 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -20.68 58.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.642 ' O ' HD12 ' A' ' 36' ' ' ILE . 13.4 m-20 -81.91 -30.96 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 23' ' ' LEU . 92.3 t -94.52 -13.59 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 10.5 mt-10 -90.37 -40.32 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.27 -50.91 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.642 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.0 mt -54.87 -32.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.3 m-85 -92.84 -28.74 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.3 t -50.11 -27.11 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -39.42 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -71.9 -3.48 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.87 23.41 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -88.82 134.47 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 46' ' ' CYS . 84.2 mt -97.62 136.38 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.0 m -110.82 -27.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.52 119.23 0.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.7 p -131.87 146.88 52.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.46 133.12 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 30' ' ' LYS . 65.9 t -119.42 120.38 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 6.6 m-70 -118.72 130.18 55.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 10.8 tttp -40.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.58 -36.6 2.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -157.35 -171.53 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -163.54 167.27 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -138.29 146.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 20' ' ' ILE . 11.1 t -129.02 142.82 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.45 107.51 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.727 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . 24.9 m-85 -83.89 169.35 15.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.86 -20.75 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.29 171.46 15.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -81.12 -42.22 21.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -55.63 -35.41 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 85.0 m-20 -78.79 -38.78 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . . . -67.14 -61.0 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 84' ' ' LEU . 51.3 ttt85 -43.84 -36.66 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.5 -64.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.499 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.37 -42.77 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 76.8 t -54.42 -30.06 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -34.41 13.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.44 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.5 mm-40 -38.85 -66.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.3 t70 -39.35 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.18 19.17 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -100.47 135.61 41.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.1 91.8 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -100.56 119.28 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 76.92 7.4 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.71 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.78 148.49 49.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.28 148.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.7 HD21 HG22 ' A' ' 75' ' ' ILE . 84.2 mt -106.18 128.16 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 13.4 t70 -93.24 100.72 13.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -115.77 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.546 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 19.3 p-10 -164.91 141.84 5.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.4 mt -64.35 121.67 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -60.48 85.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 25.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -146.73 126.88 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.656 HG13 ' CG2' ' A' ' 67' ' ' VAL . 60.3 t -114.62 134.26 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.893 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.97 114.87 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.93 167.73 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 50.88 42.37 27.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -91.54 114.32 26.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.8 t30 -69.13 65.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.9 p -55.45 -17.93 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.1 -12.68 41.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -139.21 -47.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.7 t -66.23 131.32 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' CE ' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -103.53 176.0 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.654 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -70.76 -37.28 73.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -12.32 61.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 m-20 -89.19 -29.9 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' CE1' ' A' ' 37' ' ' PHE . 46.7 t -94.72 -17.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 11.9 mt-10 -90.66 -24.28 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.39 -47.85 6.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 32' ' ' ASP . 95.2 mt -58.51 -32.08 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.811 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.72 -13.84 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -66.24 -20.43 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -12.36 59.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.68 15.42 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.46 -177.61 18.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -93.43 132.38 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 37' ' ' PHE . 79.8 mt -95.14 138.1 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 16.1 m -109.87 -26.08 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.33 118.68 0.85 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' HB2' HG21 ' A' ' 43' ' ' ILE . 44.3 t -132.84 130.85 40.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -135.03 142.94 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 30' ' ' LYS . 34.9 t -124.39 116.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' GLY . 70.2 m-70 -112.16 131.76 55.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -38.83 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.54 -43.69 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' HIS . 40.7 p90 -156.62 171.46 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -140.82 168.94 18.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -136.82 131.57 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 20' ' ' ILE . 40.0 t -114.98 138.53 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -123.94 108.46 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 55' ' ' VAL . 51.7 m-85 -86.89 170.26 11.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.39 -36.16 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.01 174.72 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -85.47 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -55.69 -30.19 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -77.39 -36.37 53.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -62.55 -63.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.63 -45.01 27.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -62.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.23 -53.02 62.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.656 ' CG2' HG13 ' A' ' 18' ' ' VAL . 18.1 t -48.43 -24.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.24 -31.19 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -94.56 -74.29 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.706 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -36.93 -68.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t70 -38.6 118.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 26.15 7.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -106.65 136.49 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.2 88.17 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -96.75 119.99 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 74.8 3.72 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.83 -2.97 41.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -115.53 145.81 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.32 142.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 75' ' ' ILE . 74.7 mt -100.28 124.52 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -94.7 100.72 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -110.68 161.2 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 10.0 t30 -164.36 160.76 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.6 mt -81.25 134.05 35.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.66 76.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.728 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 ttt180 -135.02 147.55 49.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.862 HG13 HG22 ' A' ' 67' ' ' VAL . 43.5 t -136.59 125.25 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -97.55 102.21 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.952 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -87.99 102.29 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.67 176.65 22.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 44.97 55.97 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -120.79 117.68 28.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -68.6 64.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' LEU . 45.1 p -53.25 -19.62 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.24 -15.48 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -128.91 -49.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 23' ' ' LEU . 3.4 t -64.45 147.05 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -177.44 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.29 -44.19 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -23.52 66.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.8 t70 -75.42 -32.63 60.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.763 HG13 ' CE1' ' A' ' 37' ' ' PHE . 92.5 t -94.83 -17.17 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.6 mt-10 -90.28 -25.48 20.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.77 -40.49 11.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -65.46 -33.28 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.763 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -92.17 -12.44 32.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -65.28 -10.9 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -4.41 44.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 15.5 m-85 -111.57 23.45 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 158.67 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -71.79 119.02 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 37' ' ' PHE . 49.5 mt -78.06 130.65 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 56' ' ' GLN . 12.9 m -100.08 -29.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.83 124.73 1.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.45 143.11 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -143.82 141.33 30.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 30' ' ' LYS . 57.5 t -126.57 118.13 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 88.6 m-70 -118.27 128.06 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -39.79 100.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.13 -12.79 6.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 16.8 p90 173.84 -171.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -161.63 168.52 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.27 137.7 36.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.952 HG23 ' CD1' ' A' ' 20' ' ' ILE . 54.6 t -121.95 144.84 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -129.56 108.35 10.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 84.2 m-85 -83.71 170.93 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.57 -31.15 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -136.21 174.07 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -79.43 -57.24 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -39.58 -36.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.834 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 7.9 m120 -67.92 -52.37 37.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.39 -67.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttt-85 -39.72 -33.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.85 -63.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 40' ' ' TYR . . . -59.79 -48.91 79.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 18' ' ' VAL . 76.6 t -44.08 -31.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.31 -75.51 0.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.735 ' HB3' HD12 ' A' ' 82' ' ' ILE . 15.1 mm-40 -40.19 -65.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' GLU . 27.9 t0 -38.64 112.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.93 21.95 7.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -104.66 133.31 49.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.9 100.33 12.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.781 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -115.15 121.72 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.31 -2.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.95 28.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -111.29 157.96 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.96 138.58 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.781 HD21 HG22 ' A' ' 75' ' ' ILE . 72.5 mt -92.37 121.78 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 100.28 12.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -110.75 151.54 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HA ' HG13 ' A' ' 67' ' ' VAL . 2.4 p-10 -164.45 143.78 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.5 mt -61.47 127.58 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.21 72.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -138.92 126.21 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -110.83 138.12 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.39 98.97 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.99 HD11 HG23 ' A' ' 55' ' ' VAL . 2.6 mp -81.96 123.76 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.42 169.15 13.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t30 51.12 32.22 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -79.85 113.87 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.584 ' O ' HG23 ' A' ' 28' ' ' VAL . 48.4 t-20 -74.2 64.2 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.7 p -52.11 -20.41 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.03 -10.32 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -133.92 -46.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' ASN . 1.8 t -74.63 150.09 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.3 tptt -122.85 142.9 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.85 -56.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.2 m -45.89 -44.52 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -60.93 -33.87 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.69 HG13 ' CE1' ' A' ' 37' ' ' PHE . 55.4 t -84.92 -19.84 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.3 mt-10 -90.03 -23.41 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -93.26 -44.0 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -62.16 -32.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.1 m-85 -92.26 -12.48 32.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -66.97 -11.32 56.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.14 -12.17 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.9 m-85 -103.7 25.32 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.01 177.13 15.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -87.61 122.92 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.573 HD11 ' HB2' ' A' ' 37' ' ' PHE . 74.8 mt -85.3 135.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.9 m -106.7 -27.35 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -160.52 121.45 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 55' ' ' VAL . 8.7 t -131.55 135.38 46.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -133.23 148.75 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB1' ' A' ' 53' ' ' ALA . 85.9 t -134.94 122.64 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 62.5 m-70 -118.7 133.78 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -40.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.98 -43.8 1.26 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -149.18 -172.47 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 23' ' ' LEU . . . -159.23 172.63 17.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 19' ' ' PHE . 4.2 m-85 -148.32 139.22 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.99 HG23 HD11 ' A' ' 20' ' ' ILE . 75.1 t -122.84 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -123.89 109.36 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 51.8 m-85 -87.22 169.82 12.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.62 -33.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -136.09 169.26 17.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -77.1 -54.04 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -39.03 -41.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.759 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 75.1 m-20 -70.52 -52.41 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -48.07 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 57.1 ttt-85 -46.29 -38.65 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -47.02 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -52.72 -52.72 55.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 18' ' ' VAL . 37.1 t -47.66 -26.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.44 -31.91 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -90.46 -73.61 1.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HB3' HD12 ' A' ' 82' ' ' ILE . 5.4 mm-40 -38.38 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.6 t70 -38.56 116.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.68 25.06 6.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -106.75 135.35 48.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.13 90.31 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -105.55 120.99 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.03 1.85 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -8.43 45.06 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.15 149.52 37.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.2 143.2 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 75' ' ' ILE . 86.1 mt -97.49 126.74 42.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLY . 7.9 m-20 -95.03 100.36 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -115.44 155.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.476 ' HA ' HG13 ' A' ' 67' ' ' VAL . 12.9 t30 -163.8 163.09 24.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 64' ' ' ARG . 1.6 mt -80.18 135.85 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.45 74.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -140.68 131.66 26.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 HG22 ' A' ' 67' ' ' VAL . 57.9 t -114.58 136.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -105.77 98.71 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.868 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.66 116.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.36 174.37 16.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t30 41.41 43.58 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.05 114.13 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.6 t-20 -70.38 61.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.4 p -51.03 -21.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.6 mt -68.12 -11.28 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -132.69 -48.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -71.49 146.44 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.98 145.58 45.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.598 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.42 -49.4 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -53.43 -44.0 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.4 m-20 -62.38 -25.56 67.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 23' ' ' LEU . 61.0 t -93.92 -19.07 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.0 mt-10 -90.35 -30.54 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -84.74 -42.17 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.7 mt -64.3 -33.28 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.1 m-85 -92.37 -12.79 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.53 -12.82 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -43.74 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 25.5 m-85 -65.23 -10.13 29.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.74 174.04 23.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.02 132.0 35.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.8 mt -95.57 136.92 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 15.6 m -108.44 -26.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.76 117.87 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 34.8 t -128.72 148.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.412 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 4.6 m -146.04 151.04 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 30' ' ' LYS . 83.8 t -134.83 123.69 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 42.0 m80 -117.84 132.87 56.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.608 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 3.8 mtpt -39.02 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 129.13 -44.92 1.18 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.6 p90 -145.36 -169.78 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -164.54 173.73 11.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CA ' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -143.43 153.52 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.868 HG23 HD11 ' A' ' 20' ' ' ILE . 55.5 t -138.74 134.66 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -116.77 106.72 13.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.614 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 48.6 m-85 -82.88 170.52 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.96 -32.15 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -143.03 168.27 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.8 -51.27 35.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -43.74 -41.65 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.601 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.7 m120 -68.91 -41.82 77.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.09 -64.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttm180 -43.18 -39.93 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -46.39 -65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.0 -50.05 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.874 HG22 HG13 ' A' ' 18' ' ' VAL . 77.0 t -44.5 -32.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -36.4 12.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.23 -74.88 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.856 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.0 t70 -38.01 115.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.65 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.2 ttt180 -109.07 140.55 42.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.57 92.17 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.855 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -106.21 117.62 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.8 -2.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.11 4.02 35.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -125.73 151.64 46.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.65 147.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 75' ' ' ILE . 77.0 mt -103.92 125.61 50.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -96.4 100.29 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.856 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -116.39 155.57 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.0 t30 -161.19 160.65 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -77.49 135.44 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 77.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 36.7 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.4 ttm-85 -144.73 129.43 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -114.15 128.53 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -97.32 98.9 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.972 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mt -85.29 116.35 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.51 12.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 50.55 42.83 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG21 ' A' ' 33' ' ' VAL . 1.1 tt -92.81 114.02 26.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' VAL . 56.9 t-20 -68.49 67.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.7 p -57.77 -16.89 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.7 mt -67.99 -12.58 61.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.02 -50.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.1 t -62.45 146.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.27 147.94 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -44.11 -49.14 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -33.33 65.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 t70 -69.28 -35.09 75.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.938 HG21 HD11 ' A' ' 23' ' ' LEU . 43.9 t -88.38 -17.52 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' SER . 7.2 mt-10 -90.63 -36.28 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.87 -46.5 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 32' ' ' ASP . 85.1 mt -60.25 -31.02 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.41 -41.21 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.2 m -45.23 -25.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -73.82 -43.73 57.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' PHE . 7.0 m-85 -65.61 -10.01 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.19 164.0 13.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -72.25 128.11 34.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 mt -94.84 139.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 17.1 m -110.53 -24.26 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.27 119.04 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 12.8 t -132.07 136.34 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.9 m -135.48 145.27 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 ' CB ' ' A' ' 53' ' ' ALA . 77.3 t -129.56 120.11 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.7 m-70 -118.4 131.2 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 8.1 tttp -40.5 97.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.53 -37.89 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' HIS . 29.0 p90 -162.33 167.08 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -139.81 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.4 m-85 -144.46 129.26 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.972 HG23 HD11 ' A' ' 20' ' ' ILE . 89.1 t -114.12 146.35 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.66 111.68 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 57.5 m-85 -88.88 163.07 15.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.47 -37.41 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -131.69 168.43 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -73.21 -53.25 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.3 ttp180 -37.38 -46.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.749 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 27.5 m120 -59.97 -51.74 68.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -49.19 -60.25 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -48.16 -34.68 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.81 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.49 -50.96 70.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.946 HG22 HG13 ' A' ' 18' ' ' VAL . 71.2 t -43.92 -30.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.85 -34.73 13.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -81.01 -73.7 1.17 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.818 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.6 mm-40 -39.73 -70.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.3 t70 -36.23 112.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.86 22.95 7.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -105.52 134.95 47.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.29 88.59 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -99.01 122.77 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.53 5.71 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.95 55.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.452 HE22 ' ND2' ' A' ' 24' ' ' ASN . 1.2 mt-30 -121.12 142.62 49.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.32 146.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 75' ' ' ILE . 81.0 mt -104.24 122.43 45.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.15 100.26 13.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.818 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.8 mt -116.79 154.01 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.0 t30 -159.34 157.36 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -75.89 132.49 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -63.3 81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 51.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -145.51 141.57 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 HG22 ' A' ' 67' ' ' VAL . 49.9 t -129.4 131.21 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -102.64 100.79 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.643 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -86.57 107.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.06 176.91 22.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 79' ' ' VAL . 13.4 t30 42.59 38.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.44 114.3 25.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 6.3 t-20 -62.73 79.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 23' ' ' LEU . 68.9 p -73.03 2.37 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.4 mt -90.1 -16.28 29.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 28' ' ' VAL . 4.1 m -126.68 -50.85 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -66.86 150.15 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -177.58 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.5 -47.69 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -25.51 63.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.5 m-20 -72.09 -30.52 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.846 HG21 HD11 ' A' ' 23' ' ' LEU . 41.2 t -94.8 -19.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -90.1 -21.34 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.15 -47.71 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -60.04 -30.76 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.8 m-85 -92.5 -15.3 27.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 -21.13 66.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -84.42 -4.89 59.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 66' ' ' ALA . 8.0 m-85 -109.51 15.46 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.39 -173.52 21.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -99.6 116.39 31.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.8 mt -78.62 131.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' GLN . 14.9 m -107.73 -30.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.04 115.12 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.89 146.82 52.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 3.8 p -148.35 151.58 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' HD2' ' A' ' 30' ' ' LYS . 77.1 t -130.1 114.37 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.4 m-70 -114.71 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.598 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -39.46 101.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.7 -30.71 3.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' HIS . 13.5 p90 -168.04 -171.6 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -156.54 161.37 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 7.7 m-85 -130.93 139.43 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.643 HG23 ' CD1' ' A' ' 20' ' ' ILE . 39.3 t -126.01 148.22 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -134.72 107.89 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 50.6 m-85 -83.95 170.7 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.502 HG12 ' ND2' ' A' ' 59' ' ' ASN . 2.6 t -67.28 -26.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.502 ' ND2' HG12 ' A' ' 58' ' ' VAL . 32.8 m-20 -146.82 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ARG . 6.4 tt0 -58.54 -53.25 60.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' GLU . 4.2 mtt180 -38.71 -44.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 67.4 m-20 -63.6 -53.23 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -51.97 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' ALA . 11.2 ttt180 -38.71 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.19 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -58.03 -52.76 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 HG13 ' A' ' 18' ' ' VAL . 71.3 t -43.66 -29.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.84 -35.75 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -82.86 -74.36 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.872 ' HB3' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -38.43 -63.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t0 -39.94 106.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.35 -8.65 13.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.07 134.25 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.39 101.13 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.903 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -109.67 124.98 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.11 6.09 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.38 17.38 36.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.575 1.172 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.49 147.66 52.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 77.3 t -80.71 130.89 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.903 HD21 HG22 ' A' ' 75' ' ' ILE . 63.4 mt -92.0 123.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.88 100.29 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -113.96 150.04 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -163.98 142.86 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.867 ' HG ' HG21 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -60.93 129.08 39.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.33 77.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.852 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -144.2 141.42 29.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 67' ' ' VAL . 45.4 t -128.57 130.87 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -104.16 99.28 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.91 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.92 121.51 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -116.76 174.21 15.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.7 t30 39.46 50.99 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.81 116.39 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.5 t-20 -64.3 77.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 27.4 p -71.23 2.01 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.73 -15.92 31.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.8 -50.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ASN . 4.5 t -64.33 149.55 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 5.0 tptt -117.21 143.42 45.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -41.37 -55.77 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.2 m -46.16 -37.85 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.1 m-20 -65.59 -35.48 80.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 23' ' ' LEU . 41.3 t -85.6 -19.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.9 mt-10 -90.04 -24.92 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -90.03 -47.18 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 32' ' ' ASP . 65.1 mt -59.83 -30.77 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.39 -14.34 28.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -67.59 -11.09 57.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.75 -27.29 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 35.5 m-85 -90.86 20.6 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.43 177.95 15.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -89.24 133.87 34.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 37' ' ' PHE . 83.8 mt -91.85 137.83 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -110.07 -26.4 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.34 116.71 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.5 t -125.55 149.37 48.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.04 145.22 29.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 30' ' ' LYS . 41.5 t -128.81 124.37 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' HG21 ' A' ' 25' ' ' THR . 31.9 m-70 -118.05 150.69 38.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -62.02 81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 145.08 -22.95 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -170.12 -171.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -159.06 166.63 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.1 135.04 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG23 ' CD1' ' A' ' 20' ' ' ILE . 72.5 t -120.6 141.26 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -125.79 108.9 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 83.1 m-85 -85.41 169.63 13.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.99 -33.35 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -135.84 160.36 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' ALA . 44.5 tt0 -70.13 -50.64 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.5 ttt85 -37.6 -47.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.4 m120 -68.03 -47.31 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -49.39 -65.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 84' ' ' LEU . 47.6 ttt85 -46.47 -36.73 6.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.71 -60.63 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.524 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.53 -51.0 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.764 ' CG2' HG13 ' A' ' 18' ' ' VAL . 3.3 t -52.88 -22.74 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.88 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.79 -73.44 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -39.47 -66.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 32.9 t70 -39.57 104.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.85 18.47 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -98.81 135.18 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.24 93.7 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.72 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -101.94 119.42 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.34 4.35 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.93 7.26 50.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.79 147.71 50.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.25 154.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.72 HD21 HG22 ' A' ' 75' ' ' ILE . 95.0 mt -111.67 127.38 55.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLY . 38.8 t70 -92.97 100.01 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -115.58 154.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 p-10 -164.75 140.01 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 17' ' ' ARG . 2.6 mt -61.91 127.03 29.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.74 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.635 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt85 -142.06 133.13 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 67' ' ' VAL . 61.8 t -121.5 125.22 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HD2' HD22 ' A' ' 83' ' ' ASN . 22.1 t80 -95.87 100.24 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.726 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -85.96 101.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.41 179.63 30.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 40.56 34.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -90.21 114.1 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.694 HD22 HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -64.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.9 p -75.1 2.55 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -88.41 -8.23 55.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.694 HG22 HD22 ' A' ' 24' ' ' ASN . 4.4 m -137.25 -49.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.4 t -67.49 150.43 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 179.81 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.26 -45.86 53.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.5 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.643 ' O ' HD12 ' A' ' 36' ' ' ILE . 64.9 m-20 -81.5 -29.8 33.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 23' ' ' LEU . 93.7 t -94.65 -13.99 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -90.39 -39.34 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.91 -33.69 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 32' ' ' ASP . 77.7 mt -71.63 -34.06 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.53 -12.29 32.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -67.03 -9.15 36.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 2.9 ptmt -96.73 -0.12 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 19.6 m-85 -117.03 20.05 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.54 171.02 13.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -82.65 130.39 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 46' ' ' CYS . 68.6 mt -91.34 133.34 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 8.9 m -109.85 -29.65 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -147.89 119.32 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 43' ' ' ILE . 19.4 p -132.25 144.81 50.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 1.6 p -149.17 138.35 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 30' ' ' LYS . 72.5 t -122.37 112.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 17.9 m-70 -111.48 129.63 55.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -39.91 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.19 -33.77 2.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -163.39 -172.83 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -154.51 157.42 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -128.17 122.69 32.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.5 t -109.34 149.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -135.54 109.17 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 48.3 m-85 -85.98 170.92 11.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.9 -28.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -139.77 159.72 41.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.6 tt0 -70.5 -51.99 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -47.24 -40.73 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 34.8 m-20 -71.07 -30.39 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -70.9 -65.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 84' ' ' LEU . 7.4 ttm180 -40.47 -33.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.74 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.1 -40.93 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 18' ' ' VAL . 79.2 t -54.75 -29.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.81 -34.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.7 -74.16 1.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.691 ' HB3' HD12 ' A' ' 82' ' ' ILE . 12.1 mm-40 -39.83 -65.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' GLU . 16.7 t70 -38.59 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.41 24.12 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -104.0 134.07 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.55 93.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.777 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -108.88 121.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.2 0.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.46 -6.75 39.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.4 mt-30 -116.71 154.41 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.56 151.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.777 HD21 HG22 ' A' ' 75' ' ' ILE . 72.0 mt -107.03 127.01 53.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.93 100.7 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.6 mt -113.67 153.65 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.448 HD22 ' HD2' ' A' ' 19' ' ' PHE . 12.6 p30 -164.44 144.0 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.722 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -61.89 129.41 40.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 11.9 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 ttm105 -142.64 128.21 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.641 HG13 HG22 ' A' ' 67' ' ' VAL . 57.1 t -113.75 134.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.96 100.05 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -84.47 121.51 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.36 171.47 14.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.77 51.48 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.59 114.16 28.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.77 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.83 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 p -74.77 2.96 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.35 -7.88 55.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 24' ' ' ASN . 4.3 m -138.37 -50.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.2 t -67.77 150.77 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.16 -177.33 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.76 -45.32 37.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -57.4 -29.49 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' HG13 ' A' ' 28' ' ' VAL . 3.5 t70 -70.55 -30.59 67.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.1 t -91.1 -19.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 7.0 mt-10 -89.63 -27.1 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.98 -48.23 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -58.78 -31.25 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.93 -16.16 25.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -63.31 -12.37 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.65 0.25 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.33 20.05 13.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.15 170.81 13.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -82.03 132.17 35.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.2 mt -93.02 132.13 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 9.5 m -104.87 -25.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -153.25 126.73 2.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 11.6 p -132.74 147.37 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 1.7 p -149.42 137.72 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 30' ' ' LYS . 73.0 t -130.49 108.95 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' PHE . 28.3 m-70 -111.11 129.19 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.49 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.07 -26.14 5.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 52.9 p90 -168.78 -167.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 47' ' ' SER . . . -167.33 173.24 9.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CA ' HD12 ' A' ' 20' ' ' ILE . 6.8 m-85 -147.87 148.8 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 20' ' ' ILE . 6.9 t -129.86 153.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -136.49 104.08 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 70.5 m-85 -81.33 170.61 15.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.19 -31.63 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -133.34 174.39 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -83.23 -48.82 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -47.97 -35.05 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 39.9 m-20 -72.92 -46.11 54.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -56.29 -63.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -42.93 -38.86 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.86 -63.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.36 -50.09 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 18' ' ' VAL . 24.5 t -50.92 -23.96 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -31.9 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -92.84 -74.32 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.8 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -37.42 -67.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.6 t70 -39.22 112.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.94 23.9 6.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -102.21 138.02 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.97 89.58 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.899 HG22 HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -98.27 119.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.06 0.45 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.52 1.02 37.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.421 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 4.2 mt-30 -119.61 145.36 46.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.8 151.46 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.899 HD21 HG22 ' A' ' 75' ' ' ILE . 81.8 mt -108.62 123.24 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.7 t70 -92.21 99.56 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -115.07 156.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 5.0 t30 -163.64 160.84 23.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -78.56 135.87 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.39 76.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -143.23 130.55 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.674 HG13 HG22 ' A' ' 67' ' ' VAL . 48.3 t -115.51 129.7 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -101.06 99.7 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.55 120.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.57 174.75 15.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.9 t30 38.85 47.92 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -104.92 114.25 28.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.786 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.82 79.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.9 p -74.55 2.84 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.9 mt -88.37 -7.26 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.786 HG22 HD22 ' A' ' 24' ' ' ASN . 3.8 m -137.29 -49.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.9 t -70.35 140.68 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -177.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.28 -40.19 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -19.54 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.677 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 m-20 -82.02 -30.89 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 23' ' ' LEU . 46.6 t -93.92 -12.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 38' ' ' SER . 8.3 mt-10 -89.72 -45.33 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -21.71 58.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 32' ' ' ASP . 37.3 mt -81.08 -36.45 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.673 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.2 m-85 -93.0 -22.48 19.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -65.56 -16.35 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -10.65 54.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -101.86 -0.6 33.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.01 159.18 8.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.12 131.67 48.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.01 133.74 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.5 m -109.77 -24.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -146.99 121.26 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 12.1 p -131.68 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -149.16 142.67 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.62 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.4 t -131.9 115.55 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 70.4 m-70 -115.94 125.55 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 12.1 mttp -39.9 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.25 -11.79 6.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 18.9 p90 174.73 -176.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -156.03 173.28 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.4 m-85 -149.9 139.39 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.758 HG23 HD11 ' A' ' 20' ' ' ILE . 93.9 t -127.47 144.72 36.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -125.97 112.16 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 85.8 m-85 -88.7 170.27 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.55 -30.97 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -143.42 149.13 37.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.9 tt0 -57.9 -48.32 80.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.3 mtm180 -37.71 -47.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.1 m-20 -68.58 -46.76 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.88 -63.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 84' ' ' LEU . 64.1 ttt180 -43.66 -40.19 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.18 -62.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -54.36 -52.47 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.674 HG22 HG13 ' A' ' 18' ' ' VAL . 22.2 t -49.16 -24.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.18 -31.7 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.43 -73.3 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.683 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -36.84 -72.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -38.63 122.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.41 27.14 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.512 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.6 ttt180 -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.73 90.4 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -101.97 117.07 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.49 -3.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.27 6.15 29.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -129.13 150.73 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.36 154.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 68.6 mt -109.99 125.44 52.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' GLY . 35.7 t70 -94.88 99.64 11.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -118.23 156.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -164.99 161.03 19.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 17' ' ' ARG . 3.6 mt -77.91 128.86 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.4 73.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.801 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.63 142.93 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 47.2 t -130.55 124.43 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -97.62 99.71 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -83.57 103.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -99.3 178.39 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.9 t30 39.49 37.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.84 116.03 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t-20 -62.79 78.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 23' ' ' LEU . 29.2 p -72.68 1.86 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -89.45 -16.37 30.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 28' ' ' VAL . 3.8 m -126.26 -48.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 27' ' ' VAL . 3.1 t -71.28 150.65 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -121.88 143.39 49.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.16 -38.31 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 4.4 t -57.2 -49.25 76.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.662 ' O ' HD12 ' A' ' 36' ' ' ILE . 14.0 m-20 -61.05 -28.46 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 23' ' ' LEU . 95.6 t -88.64 -15.46 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' SER . 5.3 mt-10 -90.0 -44.8 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 32' ' ' ASP . 71.9 mt -80.44 -35.62 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.628 ' HB2' HD11 ' A' ' 43' ' ' ILE . 4.0 m-85 -92.12 -12.58 32.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -64.32 -15.72 60.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -28.58 22.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 70' ' ' GLU . 25.1 m-85 -84.27 10.74 9.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.34 166.42 11.38 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -76.39 126.93 31.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 37' ' ' PHE . 76.3 mt -90.92 130.58 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.8 m -106.19 -25.66 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.74 122.41 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.2 p -130.88 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -149.36 139.98 22.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 30' ' ' LYS . 86.4 t -126.4 112.83 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 83.1 m-70 -113.86 127.22 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 4.1 mttt -39.63 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.18 -17.46 7.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 34.7 p90 179.27 -167.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.34 158.77 30.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -124.79 129.42 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 20' ' ' ILE . 25.6 t -118.45 141.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 3.4 tp60 -126.69 116.05 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 47.4 m-85 -91.13 170.79 9.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.61 -30.86 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 170.68 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -74.19 -53.57 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.86 -38.02 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.92 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -75.85 -65.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 84' ' ' LEU . 43.0 ttt180 -38.8 -39.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.3 -63.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.58 -51.62 68.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 71.7 t -44.37 -30.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -33.45 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -85.97 -74.9 1.26 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 26.1 mm-40 -39.66 -62.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.4 t70 -38.98 110.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.21 22.1 7.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -98.7 136.1 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.79 95.0 9.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.823 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -106.39 122.94 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.04 1.9 3.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.39 4.25 46.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 150.58 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.9 153.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.823 HD21 HG22 ' A' ' 75' ' ' ILE . 84.9 mt -112.79 126.65 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 100.42 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 70' ' ' GLU . 4.4 mt -113.47 153.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -164.6 141.56 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.845 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.3 mt -61.72 125.24 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.04 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 60' ' ' GLU . 2.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -150.68 138.31 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.779 HG13 HG22 ' A' ' 67' ' ' VAL . 47.4 t -121.9 120.42 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HD2' HD22 ' A' ' 83' ' ' ASN . 18.5 t80 -93.16 105.13 17.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -89.89 113.1 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -110.13 179.85 20.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLY . 35.3 t30 39.82 34.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -83.7 113.99 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' VAL . 42.7 t-20 -69.41 61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.9 p -50.4 -23.62 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.01 -14.09 51.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.02 -46.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -74.5 149.89 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 3.2 tptt -121.81 155.13 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 tttt -49.07 -57.32 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -49.94 -37.0 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.62 -35.57 80.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.784 HG21 HD11 ' A' ' 23' ' ' LEU . 56.7 t -85.14 -19.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LYS . 14.3 mt-10 -90.32 -30.03 17.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -81.96 -47.97 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CG2' ' OE2' ' A' ' 70' ' ' GLU . 64.2 mt -60.16 -32.58 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.71 -12.22 32.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -68.21 -16.61 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.63 -12.74 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.683 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 16.9 m-85 -102.36 25.07 9.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.58 175.24 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 127.05 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 46' ' ' CYS . 85.7 mt -88.22 136.75 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.1 m -109.73 -27.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.45 117.94 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' ILE . 16.7 t -133.09 145.72 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.447 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 12.7 m -147.51 150.72 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 53' ' ' ALA . 48.7 t -135.81 118.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLY . 59.0 m-70 -116.78 133.0 56.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 7.4 tttt -40.01 98.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.52 -38.55 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -157.59 -172.2 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -158.31 170.83 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.48 144.79 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 57' ' ' TYR . 7.8 t -130.87 143.02 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.9 106.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 53.9 m-85 -82.64 165.85 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.84 -39.98 42.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -136.65 166.96 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 16' ' ' SER . 9.9 tt0 -66.84 -43.72 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 62' ' ' ASN . 20.0 ptt180 -52.13 -40.35 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 6.7 m-20 -71.04 -25.07 62.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -82.08 -44.41 16.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.25 -26.59 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -61.5 -38.71 88.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.843 HG21 ' HG ' ' A' ' 84' ' ' LEU . 4.8 t -63.12 -19.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.27 -22.03 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -104.95 -74.82 0.98 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 38.2 mm-40 -35.87 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -35.83 104.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.79 8.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -92.93 132.21 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.731 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.59 87.53 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 28.1 mt -107.01 120.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 82.54 1.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.16 -7.59 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.27 141.89 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.48 110.19 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.619 HD22 ' HA ' ' A' ' 23' ' ' LEU . 19.0 mt -67.16 126.63 29.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 99.91 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.504 ' HB ' ' CG ' ' A' ' 71' ' ' ASP . 8.9 mt -117.51 153.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.441 HD22 ' HD2' ' A' ' 19' ' ' PHE . 11.5 p30 -166.57 144.02 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.843 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -61.95 126.64 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.03 83.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.574 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 33.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -141.17 131.7 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 67' ' ' VAL . 58.8 t -116.11 132.26 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.53 102.1 12.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.763 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -88.09 121.01 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.71 175.74 15.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.7 t30 45.2 35.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 0.724 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -87.51 113.69 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.743 ' ND2' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.9 78.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 23' ' ' LEU . 36.7 p -73.27 2.55 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.18 -8.7 50.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.743 HG22 ' ND2' ' A' ' 24' ' ' ASN . 3.9 m -138.5 -50.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.3 t -64.09 150.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.7 tptt -115.37 148.54 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -45.28 -56.83 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -27.06 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.7 t0 -71.46 -30.27 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 23' ' ' LEU . 44.7 t -93.22 -18.42 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.59 -24.16 20.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.9 -44.8 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.2 mt -61.41 -32.37 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.743 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.7 m-85 -92.61 -13.38 29.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.89 -23.29 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -5.17 54.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -112.59 23.38 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.9 166.63 12.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -81.74 117.76 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.557 HD11 ' HB2' ' A' ' 37' ' ' PHE . 46.8 mt -79.4 128.22 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.2 m -96.83 -27.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.18 124.12 1.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.457 ' HB2' HG21 ' A' ' 43' ' ' ILE . 33.0 t -132.7 141.47 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -135.39 147.58 49.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.935 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG22 ' HB1' ' A' ' 53' ' ' ALA . 84.3 t -133.43 119.03 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.3 m-70 -118.61 131.93 56.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -41.2 97.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.79 -34.74 2.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 17.3 p90 -160.19 -171.35 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.531 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -163.77 170.5 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.64 153.36 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.763 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.3 t -136.26 136.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -120.24 108.51 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 55' ' ' VAL . 77.4 m-85 -87.25 159.18 18.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.71 -31.49 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.55 159.45 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.08 -52.23 37.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -42.71 -39.45 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 69.4 m-20 -63.86 -44.09 94.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.574 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -55.56 -64.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -45.75 -42.42 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -45.76 -64.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -55.4 -51.66 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.677 ' CG2' HG13 ' A' ' 18' ' ' VAL . 24.2 t -48.88 -24.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.03 -32.42 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.78 -74.38 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.7 mm-40 -36.88 -67.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.738 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' GLU . 6.5 t70 -39.39 120.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.68 25.89 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -107.37 135.34 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.37 90.63 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -104.0 118.27 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.62 -2.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.45 -9.72 28.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.2 mt-30 -113.96 155.71 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.6 146.82 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 75' ' ' ILE . 92.2 mt -100.48 125.82 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.83 100.49 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.3 mt -109.4 161.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 7.3 t30 -164.63 160.5 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -80.16 136.34 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -65.54 75.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.8 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.816 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.5 ttt180 -137.95 147.25 44.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 67' ' ' VAL . 48.9 t -133.44 134.51 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -106.42 98.7 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.858 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.34 113.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -112.3 174.02 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.4 t30 39.81 51.55 2.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.741 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.12 116.94 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.484 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.9 t-20 -62.32 79.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 23' ' ' LEU . 79.9 p -72.82 2.76 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.72 -15.23 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -127.32 -51.62 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -65.43 149.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' ASP . 4.0 tptt -120.29 153.02 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -46.07 -56.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -46.82 -43.45 18.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 m-20 -61.88 -31.35 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 42.7 t -87.76 -19.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.5 mt-10 -90.24 -25.2 20.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -87.82 -40.47 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 89.4 mt -67.45 -32.91 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -91.97 -12.66 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -67.48 -10.27 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -95.31 -6.93 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 13.0 m-85 -108.33 23.46 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.49 171.04 13.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -81.95 122.28 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 37' ' ' PHE . 50.9 mt -83.05 130.2 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -103.08 -24.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.48 121.98 1.07 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 55' ' ' VAL . 25.5 t -130.17 141.55 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -140.47 149.56 42.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG23 ' HD2' ' A' ' 30' ' ' LYS . 49.7 t -131.14 107.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 18.4 m-70 -105.93 126.63 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -38.56 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.7 7.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 49' ' ' HIS . 8.5 p90 -172.47 -171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -153.25 169.33 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 17.6 m-85 -143.66 130.09 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 20' ' ' ILE . 75.5 t -118.93 148.63 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -132.28 111.2 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 68.7 m-85 -88.07 169.2 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.14 -38.22 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 175.47 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -53.71 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -41.41 -31.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.831 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.4 m120 -77.89 -51.03 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.15 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 84' ' ' LEU . 18.5 ttm180 -38.19 -34.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.95 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.76 -49.88 73.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 18' ' ' VAL . 78.1 t -47.07 -30.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.5 -34.6 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -82.84 -74.67 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.765 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -39.98 -67.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.4 t70 -36.93 112.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.98 24.24 6.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -106.63 136.83 45.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 78' ' ' GLN . 0.4 OUTLIER -90.08 93.37 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -102.71 117.93 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.76 -0.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.06 -9.78 29.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' MET . 3.1 pt20 -108.14 152.5 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.96 147.03 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 55.2 mt -104.48 118.07 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 100.16 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -111.67 153.4 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.1 p-10 -161.2 141.1 10.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.1 mt -61.85 127.27 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' A' ' 57' ' ' TYR . 12.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.652 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt180 -147.68 135.76 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.836 HG13 HG22 ' A' ' 67' ' ' VAL . 93.7 t -128.0 124.33 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 82' ' ' ILE . 5.4 t80 -95.38 115.44 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.834 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp -95.93 101.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -95.47 176.38 33.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' GLY . 15.1 t30 39.5 48.17 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.16 113.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -64.39 80.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.6 p -73.39 2.74 7.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.97 -7.82 56.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG23 HG23 ' A' ' 28' ' ' VAL . 4.2 m -140.1 -50.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.652 HG13 ' OD2' ' A' ' 32' ' ' ASP . 3.2 t -65.69 150.47 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 -177.75 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.08 -21.09 51.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -82.9 -9.92 59.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.652 ' OD2' HG13 ' A' ' 28' ' ' VAL . 1.1 t70 -84.76 -34.06 22.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 23' ' ' LEU . 38.8 t -94.47 -14.1 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 25.5 mt-10 -90.71 -31.33 16.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.92 -55.77 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 32' ' ' ASP . 84.1 mt -50.29 -29.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.887 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.4 m-85 -92.36 -26.82 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -53.24 -32.63 49.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.42 -32.11 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 69' ' ' GLY . 11.3 m-85 -84.05 10.73 9.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.43 169.71 11.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.36 127.74 33.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 37' ' ' PHE . 80.6 mt -90.06 136.43 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 19.3 m -106.85 -26.8 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.7 121.39 1.04 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 29.5 t -133.11 135.43 45.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.9 m -133.4 152.28 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG22 ' HB1' ' A' ' 53' ' ' ALA . 86.4 t -133.79 121.0 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 93.0 m-70 -115.59 134.01 55.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.554 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -40.16 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.62 -41.17 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 10.3 p90 -152.66 -169.16 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -160.43 177.87 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -143.42 152.29 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 57' ' ' TYR . 43.5 t -136.29 131.63 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -118.27 110.76 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 55' ' ' VAL . 41.4 m-85 -87.67 170.14 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.87 -24.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -143.53 164.62 29.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ALA . 5.2 tm-20 -71.99 -49.72 34.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -46.06 -39.01 8.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.9 m120 -70.11 -36.13 74.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB1' HG23 ' A' ' 18' ' ' VAL . . . -60.41 -64.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 34.1 ttm180 -47.55 -44.92 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -40.6 -59.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.44 -51.75 67.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.836 HG22 HG13 ' A' ' 18' ' ' VAL . 78.4 t -43.42 -30.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.9 -34.17 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -82.98 -74.96 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 1.5 mm-40 -42.87 -62.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.624 ' N ' HD12 ' A' ' 82' ' ' ILE . 29.8 t70 -39.87 117.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.66 21.26 9.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HE ' HD12 ' A' ' 75' ' ' ILE . 3.4 ttt85 -98.97 137.09 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 95.97 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -108.44 120.8 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.79 7.7 2.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.18 -7.07 58.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.433 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 7.5 mp0 -114.75 153.71 29.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.79 152.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD21 ' CG2' ' A' ' 75' ' ' ILE . 99.0 mt -106.02 129.26 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.75 100.73 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 71' ' ' ASP . 5.6 mt -110.6 156.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 19' ' ' PHE . 4.1 p30 -164.73 140.14 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.816 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.12 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 78.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -58.64 124.83 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -118.07 127.82 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.17 155.95 21.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t 62.87 82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.35 168.43 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.96 77.37 0.14 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -173.14 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -129.25 91.31 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.2 143.79 50.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.59 2.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -129.9 -57.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.43 75.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 ptp -163.23 166.88 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.81 -46.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -87.61 97.41 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.4 ttt85 -141.26 150.21 42.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 56.2 t -139.58 121.11 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.72 99.15 11.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.03 107.75 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.07 174.53 22.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t30 46.02 40.72 7.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.41 114.04 26.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.51 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.4 t-20 -69.59 65.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.9 p -55.72 -18.11 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.21 -13.58 62.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.97 -48.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -70.13 143.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -179.28 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.31 -43.47 56.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -63.03 -23.39 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -76.08 -32.2 59.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.747 HG13 ' CE1' ' A' ' 37' ' ' PHE . 91.9 t -94.51 -16.3 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.7 mt-10 -90.44 -28.4 18.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.4 -45.02 9.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.9 mt -60.76 -31.07 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.747 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.1 m-85 -92.35 -12.88 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -67.94 -10.08 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -93.41 -12.52 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 14.4 m-85 -106.27 19.75 20.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.33 155.64 9.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.64 134.03 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -94.71 127.35 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.7 m -99.76 -32.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.61 116.72 0.79 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.687 ' SG ' HG22 ' A' ' 55' ' ' VAL . 52.4 t -132.86 138.57 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -144.15 147.86 34.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 53' ' ' ALA . 26.5 t -131.44 121.12 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' GLY . 67.1 m-70 -118.68 132.9 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.2 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.93 -34.72 2.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -163.35 -172.0 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -159.39 161.2 35.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -131.09 136.54 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.7 t -122.37 142.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -130.33 109.17 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 60.6 m-85 -85.31 170.99 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.66 -33.45 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.45 157.04 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -53.64 49.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -39.02 -44.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.794 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 15.1 m120 -64.17 -55.42 21.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.27 -62.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 84' ' ' LEU . 6.4 ttm-85 -45.57 -29.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -60.95 -61.25 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -57.07 -52.34 65.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 72.7 t -44.09 -30.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.74 -34.48 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -84.24 -74.39 1.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.789 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -38.47 -66.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 t70 -39.69 112.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.85 22.42 6.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -103.34 136.54 42.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.25 92.47 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -101.89 120.8 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.21 1.78 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.78 -0.03 39.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.52 150.04 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.11 153.57 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD21 HG22 ' A' ' 75' ' ' ILE . 88.4 mt -111.03 128.9 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 100.88 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.9 mt -115.55 153.81 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -164.78 144.0 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.16 128.03 34.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.31 76.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.83 -53.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -112.66 101.78 53.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.75 19.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.09 130.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 52.81 98.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -59.07 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.36 138.2 58.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.96 164.61 10.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.0 p -79.28 109.87 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -158.04 152.44 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m 55.87 80.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -135.69 92.91 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.06 148.57 4.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t 57.38 83.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.957 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 124.02 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.06 88.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.79 114.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 141.24 30.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -136.68 141.42 35.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.9 6.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 177.21 158.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.28 144.21 27.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.2 82.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -143.83 78.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 p -141.44 97.54 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 4.0 ttt180 -139.44 133.34 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 67' ' ' VAL . 57.6 t -119.95 134.17 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -103.8 98.95 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.58 ' HA ' HG23 ' A' ' 82' ' ' ILE . 2.6 mp -84.21 115.01 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -110.74 176.81 19.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 40.67 41.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 0.785 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -93.47 114.27 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' VAL . 45.8 t-20 -68.8 66.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.4 p -58.74 -15.73 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.86 -12.1 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.92 -51.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -69.47 138.42 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.85 -178.31 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.665 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.93 -36.89 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -25.37 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.673 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 m-20 -77.6 -34.28 53.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 23' ' ' LEU . 90.1 t -90.51 -12.78 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CG ' ' SG ' ' A' ' 46' ' ' CYS . 9.1 mt-10 -90.65 -39.4 12.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -49.01 13.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.8 mt -56.04 -32.49 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.712 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -93.43 -14.58 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -65.38 -10.96 37.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.06 -30.48 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.4 m-85 -82.09 2.74 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.45 160.06 8.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -71.38 133.86 46.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 37' ' ' PHE . 65.1 mt -93.75 135.05 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 56' ' ' GLN . 10.2 m -105.73 -28.42 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.16 120.2 0.95 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 43' ' ' ILE . 20.5 p -132.97 152.71 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.33 148.46 29.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.665 HG23 ' HD2' ' A' ' 30' ' ' LYS . 78.0 t -130.41 120.36 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 13.9 m80 -118.81 130.43 55.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.07 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.21 -37.74 2.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.9 p90 -155.18 -170.67 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -160.99 167.58 26.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.7 m-85 -137.32 151.49 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' CD1' ' A' ' 20' ' ' ILE . 13.1 t -138.68 138.38 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.2 tp60 -124.5 102.96 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 62' ' ' ASN . 70.7 m-85 -78.06 170.87 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.32 -23.19 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.67 144.01 24.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 tt0 -52.14 -47.61 65.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -39.18 -46.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.733 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 76.7 m-20 -67.15 -45.93 75.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.11 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -46.88 -37.02 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -51.6 -61.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.471 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -59.71 -53.42 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.793 ' CG2' HG13 ' A' ' 18' ' ' VAL . 5.2 t -46.64 -26.86 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.93 -32.74 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -89.67 -74.01 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.805 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.8 mm-40 -37.24 -67.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 5.1 t70 -39.88 113.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.8 22.82 6.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -103.89 137.04 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.73 92.43 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -103.34 119.01 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.12 5.67 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.2 -2.97 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -117.86 150.85 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.05 150.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 75' ' ' ILE . 84.9 mt -106.11 128.7 54.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -97.54 100.53 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.805 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -114.58 155.4 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 11.9 t30 -158.56 162.95 37.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.03 136.43 36.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.13 73.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.04 -49.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -118.56 98.78 51.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.83 17.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 57.96 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -87.96 151.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -100.96 97.65 8.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 -54.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.16 -58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.72 131.22 1.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 131.81 14.68 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 m -58.04 169.63 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.2 t -96.57 -58.74 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.132 . . . . 0.0 111.024 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -109.87 137.7 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t 61.0 165.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -70.72 -60.92 4.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t 67.13 -71.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.052 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -48.08 128.18 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.98 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.83 -166.62 12.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.88 127.59 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 m 60.38 117.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.13 146.3 31.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 57.01 4.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.12 100.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.18 131.39 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.95 82.8 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -137.97 77.05 1.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 24.1 p -132.24 101.13 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -147.69 128.45 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.863 HG13 HG22 ' A' ' 67' ' ' VAL . 59.3 t -113.63 133.25 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -102.29 98.76 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.593 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -83.78 115.64 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -117.82 157.2 15.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 t30 62.8 36.14 13.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -88.06 114.44 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.1 t-20 -70.26 64.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.2 p -54.08 -19.08 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.84 -12.29 53.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.89 -47.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.1 t -72.75 137.49 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -177.44 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.43 -45.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -21.69 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.79 -30.05 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 59.7 t -94.57 -15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.6 mt-10 -90.19 -37.88 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.69 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG23 ' NH1' ' A' ' 73' ' ' ARG . 80.4 mt -58.02 -32.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.6 m-85 -93.17 -13.49 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -65.65 -11.28 43.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -96.34 -4.97 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 10.2 m-85 -110.33 16.11 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 160.69 10.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -73.02 130.86 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.4 mt -92.36 134.84 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.8 m -109.65 -28.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -148.63 119.6 1.09 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.1 p -132.8 145.97 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.41 130.32 14.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.5 t -118.17 117.33 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLY . 26.5 m80 -116.32 134.03 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -45.8 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 132.7 -30.27 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -162.19 -166.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -170.41 159.45 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.29 140.52 47.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' CD1' ' A' ' 20' ' ' ILE . 18.1 t -124.56 149.29 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -134.05 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 75.6 m-85 -82.52 170.82 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.55 -37.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -128.36 166.0 19.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' ALA . 1.1 tm-20 -74.95 -54.99 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -42.07 -29.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 25.6 m120 -78.33 -49.28 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -53.72 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HB2' HD11 ' A' ' 84' ' ' LEU . 42.2 ttt180 -43.88 -34.95 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.84 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -56.44 -51.22 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.863 HG22 HG13 ' A' ' 18' ' ' VAL . 38.0 t -47.67 -27.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.69 -34.25 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -85.53 -74.37 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.774 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.4 mm-40 -38.6 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' GLU . 21.5 t70 -37.92 118.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.84 27.69 6.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.701 ' NH1' HG23 ' A' ' 36' ' ' ILE . 10.9 ttt180 -110.83 138.95 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.15 91.83 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.747 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.3 118.24 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.96 -2.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.12 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -117.87 152.55 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.93 140.29 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD21 HG22 ' A' ' 75' ' ' ILE . 83.0 mt -95.09 126.51 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -96.45 100.45 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -117.16 155.82 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -160.79 162.14 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.528 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -78.36 135.31 37.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.5 74.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.79 -52.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -115.04 95.79 43.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.58 20.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt 43.73 48.9 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.8 130.79 40.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -167.76 137.62 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -59.72 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.01 -56.42 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.64 -153.74 20.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 64.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.24 119.2 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -156.71 89.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.37 87.12 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -43.62 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.93 -105.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.55 151.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -144.77 -56.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.17 -70.64 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 112.45 24.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -75.23 91.62 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.62 145.4 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 13.9 ttp-105 -171.77 134.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.21 -54.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.87 80.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -144.85 76.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 20.5 p -128.29 97.66 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.844 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -136.61 146.57 46.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.003 HG13 HG22 ' A' ' 67' ' ' VAL . 54.6 t -134.01 127.45 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -98.98 99.15 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.903 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mt -84.52 114.88 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 165.52 12.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.81 34.33 24.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -84.3 113.8 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.457 ' HB3' HG23 ' A' ' 28' ' ' VAL . 21.6 t30 -73.14 63.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.5 p -50.02 -22.08 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.03 -12.22 53.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.43 -47.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' ' 24' ' ' ASN . 1.9 t -76.23 140.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -110.91 -177.71 3.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.56 -40.16 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -24.5 67.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.681 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.29 -35.45 55.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 96.3 t -89.63 -13.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 8.7 mt-10 -90.46 -37.69 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.11 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 32' ' ' ASP . 88.3 mt -66.53 -34.81 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.5 m-85 -92.81 -12.57 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -64.19 -27.0 68.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -77.02 -43.06 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 17.1 m-85 -63.6 -10.99 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.85 170.75 17.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -76.8 138.48 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 37' ' ' PHE . 95.9 mt -101.65 134.03 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -107.35 -28.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -151.75 118.29 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.527 ' HB3' HG21 ' A' ' 43' ' ' ILE . 30.0 p -132.57 147.66 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.43 141.08 23.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 30' ' ' LYS . 92.9 t -126.8 119.73 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 60.6 m-70 -118.65 130.93 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -40.22 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.43 -37.89 2.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 11.7 p90 -156.69 -171.11 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 0.772 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -162.7 166.54 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -140.07 140.84 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.903 HG23 ' CD1' ' A' ' 20' ' ' ILE . 55.6 t -125.75 147.37 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.03 105.14 7.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.612 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 38.7 m-85 -80.0 167.0 21.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.14 -37.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -128.3 175.0 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -81.73 -51.73 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -47.01 -36.82 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m-20 -68.24 -47.99 66.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -58.23 -64.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 84' ' ' LEU . 4.0 ttm-85 -42.57 -31.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -54.15 -60.62 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.87 -51.26 68.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.003 HG22 HG13 ' A' ' 18' ' ' VAL . 71.6 t -45.71 -28.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.17 -33.0 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -87.41 -73.65 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.891 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.9 mm-40 -36.46 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.76 109.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.08 20.38 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -105.08 135.64 46.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.61 99.33 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.69 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -112.25 116.86 53.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.67 -6.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.16 -8.77 15.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.28 154.96 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.5 t -87.63 132.37 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 75' ' ' ILE . 57.7 mt -84.54 125.17 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -92.86 100.68 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.891 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.3 mt -115.65 151.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 17.6 p-10 -161.97 142.05 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.844 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.3 mt -62.13 126.1 26.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -64.69 82.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.54 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.83 106.09 51.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.6 19.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 42.73 48.1 4.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 90' ' ' VAL . 7.3 p -104.22 120.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.7 t30 49.27 94.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -175.65 144.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -151.91 97.66 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.76 152.04 22.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.63 25.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -61.11 143.01 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.59 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.4 156.06 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.18 89.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.32 106.41 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -98.0 158.06 15.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -131.64 109.93 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -160.4 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -135.6 157.14 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 t -119.15 154.07 33.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -112.95 150.68 43.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.0 64.46 6.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER 162.68 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.61 93.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tpt -117.73 93.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -164.97 36.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 92.5 p -88.54 97.34 11.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -152.52 128.07 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 38.9 t -118.25 128.68 75.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -102.85 99.22 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -83.62 121.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -115.8 175.26 15.76 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 9.2 t30 40.07 47.71 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -97.15 115.4 27.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.3 t30 -69.06 64.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 23' ' ' LEU . 37.5 p -55.37 -18.2 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.5 mt -63.76 -15.02 57.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.22 -47.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -73.43 132.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -177.52 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -71.1 -45.65 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -20.68 58.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.642 ' O ' HD12 ' A' ' 36' ' ' ILE . 13.4 m-20 -81.91 -30.96 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 23' ' ' LEU . 92.3 t -94.52 -13.59 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 10.5 mt-10 -90.37 -40.32 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.27 -50.91 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.642 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.0 mt -54.87 -32.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.3 m-85 -92.84 -28.74 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.3 t -50.11 -27.11 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -39.42 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -71.9 -3.48 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.87 23.41 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -88.82 134.47 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 46' ' ' CYS . 84.2 mt -97.62 136.38 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.0 m -110.82 -27.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.52 119.23 0.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.7 p -131.87 146.88 52.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.46 133.12 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 30' ' ' LYS . 65.9 t -119.42 120.38 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 6.6 m-70 -118.72 130.18 55.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 10.8 tttp -40.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.58 -36.6 2.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -157.35 -171.53 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -163.54 167.27 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -138.29 146.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 20' ' ' ILE . 11.1 t -129.02 142.82 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.45 107.51 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.727 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . 24.9 m-85 -83.89 169.35 15.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.86 -20.75 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.29 171.46 15.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -81.12 -42.22 21.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -55.63 -35.41 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 85.0 m-20 -78.79 -38.78 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . . . -67.14 -61.0 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 84' ' ' LEU . 51.3 ttt85 -43.84 -36.66 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.5 -64.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.499 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.37 -42.77 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 76.8 t -54.42 -30.06 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -34.41 13.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.44 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.5 mm-40 -38.85 -66.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.3 t70 -39.35 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.18 19.17 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -100.47 135.61 41.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.1 91.8 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -100.56 119.28 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 76.92 7.4 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.71 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.78 148.49 49.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.28 148.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.7 HD21 HG22 ' A' ' 75' ' ' ILE . 84.2 mt -106.18 128.16 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 13.4 t70 -93.24 100.72 13.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -115.77 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.546 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 19.3 p-10 -164.91 141.84 5.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.4 mt -64.35 121.67 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -60.48 85.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -177.53 -56.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.77 108.0 59.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -8.37 20.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 43.14 48.74 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.61 125.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 50.31 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -104.53 145.11 30.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -143.78 102.16 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.27 132.79 48.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 p -142.33 112.31 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 m -156.19 -58.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -140.1 -58.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.978 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t 65.2 112.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 -74.98 0.96 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.63 165.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 136.06 56.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.54 134.45 12.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 177.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -135.77 156.54 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.365 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.7 150.07 42.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.01 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -167.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.41 80.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -87.21 74.87 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 25.2 p -130.74 98.49 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -146.73 126.88 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.656 HG13 ' CG2' ' A' ' 67' ' ' VAL . 60.3 t -114.62 134.26 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.893 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.97 114.87 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.93 167.73 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 50.88 42.37 27.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -91.54 114.32 26.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.8 t30 -69.13 65.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.9 p -55.45 -17.93 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.1 -12.68 41.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -139.21 -47.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.7 t -66.23 131.32 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' CE ' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -103.53 176.0 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.654 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -70.76 -37.28 73.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -12.32 61.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 m-20 -89.19 -29.9 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' CE1' ' A' ' 37' ' ' PHE . 46.7 t -94.72 -17.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 11.9 mt-10 -90.66 -24.28 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.39 -47.85 6.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 32' ' ' ASP . 95.2 mt -58.51 -32.08 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.811 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.72 -13.84 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -66.24 -20.43 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -12.36 59.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.68 15.42 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.46 -177.61 18.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -93.43 132.38 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 37' ' ' PHE . 79.8 mt -95.14 138.1 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 16.1 m -109.87 -26.08 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.33 118.68 0.85 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' HB2' HG21 ' A' ' 43' ' ' ILE . 44.3 t -132.84 130.85 40.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -135.03 142.94 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 30' ' ' LYS . 34.9 t -124.39 116.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' GLY . 70.2 m-70 -112.16 131.76 55.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -38.83 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.54 -43.69 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' HIS . 40.7 p90 -156.62 171.46 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -140.82 168.94 18.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -136.82 131.57 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 20' ' ' ILE . 40.0 t -114.98 138.53 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -123.94 108.46 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 55' ' ' VAL . 51.7 m-85 -86.89 170.26 11.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.39 -36.16 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.01 174.72 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -85.47 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -55.69 -30.19 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -77.39 -36.37 53.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -62.55 -63.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.63 -45.01 27.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -62.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.23 -53.02 62.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.656 ' CG2' HG13 ' A' ' 18' ' ' VAL . 18.1 t -48.43 -24.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.24 -31.19 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -94.56 -74.29 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.706 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -36.93 -68.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t70 -38.6 118.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 26.15 7.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -106.65 136.49 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.2 88.17 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -96.75 119.99 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 74.8 3.72 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.83 -2.97 41.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -115.53 145.81 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.32 142.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 75' ' ' ILE . 74.7 mt -100.28 124.52 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -94.7 100.72 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -110.68 161.2 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 10.0 t30 -164.36 160.76 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.6 mt -81.25 134.05 35.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.66 76.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -168.77 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.76 101.22 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.02 19.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 40.87 54.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.73 128.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -153.58 113.03 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 -56.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.32 128.48 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.59 92.01 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.53 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.9 p -94.43 157.32 16.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.0 t -96.98 -58.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -138.05 129.03 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.21 163.31 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.03 109.19 3.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.8 77.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 147.86 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.042 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.07 -75.76 0.64 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.122 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.29 117.6 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 t -134.6 140.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.31 152.69 78.56 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 102.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -160.67 -57.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.4 p -91.4 171.12 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 5.4 ptp -62.71 124.37 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 14' ' ' MET . 14.5 m-20 177.51 67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -135.1 97.55 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.728 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 ttt180 -135.02 147.55 49.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.862 HG13 HG22 ' A' ' 67' ' ' VAL . 43.5 t -136.59 125.25 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -97.55 102.21 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.952 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -87.99 102.29 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.67 176.65 22.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 44.97 55.97 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -120.79 117.68 28.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -68.6 64.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' LEU . 45.1 p -53.25 -19.62 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.24 -15.48 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -128.91 -49.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 23' ' ' LEU . 3.4 t -64.45 147.05 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -177.44 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.29 -44.19 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -23.52 66.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.8 t70 -75.42 -32.63 60.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.763 HG13 ' CE1' ' A' ' 37' ' ' PHE . 92.5 t -94.83 -17.17 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.6 mt-10 -90.28 -25.48 20.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.77 -40.49 11.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -65.46 -33.28 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.763 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -92.17 -12.44 32.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -65.28 -10.9 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -4.41 44.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 15.5 m-85 -111.57 23.45 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 158.67 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -71.79 119.02 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 37' ' ' PHE . 49.5 mt -78.06 130.65 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 56' ' ' GLN . 12.9 m -100.08 -29.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.83 124.73 1.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.45 143.11 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -143.82 141.33 30.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 30' ' ' LYS . 57.5 t -126.57 118.13 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 88.6 m-70 -118.27 128.06 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -39.79 100.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.13 -12.79 6.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 16.8 p90 173.84 -171.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -161.63 168.52 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.27 137.7 36.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.952 HG23 ' CD1' ' A' ' 20' ' ' ILE . 54.6 t -121.95 144.84 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -129.56 108.35 10.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 84.2 m-85 -83.71 170.93 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.57 -31.15 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -136.21 174.07 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -79.43 -57.24 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -39.58 -36.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.834 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 7.9 m120 -67.92 -52.37 37.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.39 -67.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttt-85 -39.72 -33.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.85 -63.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 40' ' ' TYR . . . -59.79 -48.91 79.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 18' ' ' VAL . 76.6 t -44.08 -31.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.31 -75.51 0.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.735 ' HB3' HD12 ' A' ' 82' ' ' ILE . 15.1 mm-40 -40.19 -65.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' GLU . 27.9 t0 -38.64 112.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.93 21.95 7.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -104.66 133.31 49.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.9 100.33 12.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.781 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -115.15 121.72 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.31 -2.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.95 28.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -111.29 157.96 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.96 138.58 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.781 HD21 HG22 ' A' ' 75' ' ' ILE . 72.5 mt -92.37 121.78 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 100.28 12.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -110.75 151.54 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HA ' HG13 ' A' ' 67' ' ' VAL . 2.4 p-10 -164.45 143.78 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.5 mt -61.47 127.58 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.21 72.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -159.84 -58.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -111.37 100.79 48.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 89' ' ' LYS . 18.3 Cg_endo -75.05 -8.23 19.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 33.66 53.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.4 t -107.32 135.88 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.65 164.92 25.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.5 119.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.31 -60.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.88 -131.6 2.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.6 t -137.32 129.44 29.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 p 39.72 90.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.86 110.01 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.23 102.52 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.4 122.38 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t 52.58 81.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 p -116.35 99.82 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.35 -167.21 5.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -115.69 151.86 34.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -130.36 71.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.31 163.65 22.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.09 3.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 47.88 85.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -179.53 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mmt -104.87 78.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.03 75.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.9 p -136.73 97.58 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -138.92 126.21 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -110.83 138.12 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.39 98.97 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.99 HD11 HG23 ' A' ' 55' ' ' VAL . 2.6 mp -81.96 123.76 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.42 169.15 13.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t30 51.12 32.22 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -79.85 113.87 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.584 ' O ' HG23 ' A' ' 28' ' ' VAL . 48.4 t-20 -74.2 64.2 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.7 p -52.11 -20.41 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.03 -10.32 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -133.92 -46.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' ASN . 1.8 t -74.63 150.09 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.3 tptt -122.85 142.9 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.85 -56.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.2 m -45.89 -44.52 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -60.93 -33.87 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.69 HG13 ' CE1' ' A' ' 37' ' ' PHE . 55.4 t -84.92 -19.84 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.3 mt-10 -90.03 -23.41 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -93.26 -44.0 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -62.16 -32.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.1 m-85 -92.26 -12.48 32.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -66.97 -11.32 56.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.14 -12.17 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.9 m-85 -103.7 25.32 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.01 177.13 15.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -87.61 122.92 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.573 HD11 ' HB2' ' A' ' 37' ' ' PHE . 74.8 mt -85.3 135.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.9 m -106.7 -27.35 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -160.52 121.45 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 55' ' ' VAL . 8.7 t -131.55 135.38 46.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -133.23 148.75 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB1' ' A' ' 53' ' ' ALA . 85.9 t -134.94 122.64 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 62.5 m-70 -118.7 133.78 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -40.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.98 -43.8 1.26 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -149.18 -172.47 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 23' ' ' LEU . . . -159.23 172.63 17.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 19' ' ' PHE . 4.2 m-85 -148.32 139.22 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.99 HG23 HD11 ' A' ' 20' ' ' ILE . 75.1 t -122.84 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -123.89 109.36 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 51.8 m-85 -87.22 169.82 12.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.62 -33.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -136.09 169.26 17.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -77.1 -54.04 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -39.03 -41.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.759 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 75.1 m-20 -70.52 -52.41 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -48.07 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 57.1 ttt-85 -46.29 -38.65 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -47.02 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -52.72 -52.72 55.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 18' ' ' VAL . 37.1 t -47.66 -26.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.44 -31.91 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -90.46 -73.61 1.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HB3' HD12 ' A' ' 82' ' ' ILE . 5.4 mm-40 -38.38 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.6 t70 -38.56 116.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.68 25.06 6.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -106.75 135.35 48.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.13 90.31 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -105.55 120.99 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.03 1.85 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -8.43 45.06 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.15 149.52 37.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.2 143.2 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 75' ' ' ILE . 86.1 mt -97.49 126.74 42.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLY . 7.9 m-20 -95.03 100.36 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -115.44 155.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.476 ' HA ' HG13 ' A' ' 67' ' ' VAL . 12.9 t30 -163.8 163.09 24.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 64' ' ' ARG . 1.6 mt -80.18 135.85 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.45 74.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -164.48 -51.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.29 102.6 45.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -7.8 19.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.67 54.16 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.9 p -95.18 141.91 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.3 112.16 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -134.91 151.69 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.46 170.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.31 91.18 2.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 68.05 5.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 60.29 107.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.67 110.63 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -166.43 91.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.23 146.06 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 139.68 3.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.4 p -157.83 133.06 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -98.82 144.53 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.64 105.32 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -60.19 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 0.811 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.77 125.75 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.15 146.34 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.64 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 127.99 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -69.45 165.35 21.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.9 mmm 42.32 83.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -138.18 77.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 t -145.06 97.51 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -140.68 131.66 26.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 HG22 ' A' ' 67' ' ' VAL . 57.9 t -114.58 136.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -105.77 98.71 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.868 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.66 116.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.36 174.37 16.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t30 41.41 43.58 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.05 114.13 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.6 t-20 -70.38 61.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.4 p -51.03 -21.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.6 mt -68.12 -11.28 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -132.69 -48.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -71.49 146.44 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.98 145.58 45.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.598 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.42 -49.4 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -53.43 -44.0 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.4 m-20 -62.38 -25.56 67.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 23' ' ' LEU . 61.0 t -93.92 -19.07 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.0 mt-10 -90.35 -30.54 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -84.74 -42.17 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.7 mt -64.3 -33.28 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.1 m-85 -92.37 -12.79 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.53 -12.82 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -43.74 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 25.5 m-85 -65.23 -10.13 29.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.74 174.04 23.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.02 132.0 35.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.8 mt -95.57 136.92 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 15.6 m -108.44 -26.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.76 117.87 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 34.8 t -128.72 148.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.412 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 4.6 m -146.04 151.04 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 30' ' ' LYS . 83.8 t -134.83 123.69 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 42.0 m80 -117.84 132.87 56.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.608 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 3.8 mtpt -39.02 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 129.13 -44.92 1.18 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.6 p90 -145.36 -169.78 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -164.54 173.73 11.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CA ' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -143.43 153.52 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.868 HG23 HD11 ' A' ' 20' ' ' ILE . 55.5 t -138.74 134.66 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -116.77 106.72 13.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.614 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 48.6 m-85 -82.88 170.52 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.96 -32.15 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -143.03 168.27 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.8 -51.27 35.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -43.74 -41.65 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.601 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.7 m120 -68.91 -41.82 77.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.09 -64.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttm180 -43.18 -39.93 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -46.39 -65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.0 -50.05 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.874 HG22 HG13 ' A' ' 18' ' ' VAL . 77.0 t -44.5 -32.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -36.4 12.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.23 -74.88 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.856 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.0 t70 -38.01 115.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.65 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.2 ttt180 -109.07 140.55 42.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.57 92.17 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.855 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -106.21 117.62 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.8 -2.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.11 4.02 35.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -125.73 151.64 46.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.65 147.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 75' ' ' ILE . 77.0 mt -103.92 125.61 50.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -96.4 100.29 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.856 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -116.39 155.57 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.0 t30 -161.19 160.65 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -77.49 135.44 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 77.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -169.43 -52.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 2.6 mt-10 -115.24 102.65 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.47 24.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.85 45.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.43 100.35 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -136.54 147.24 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -58.51 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.72 167.25 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.2 122.05 7.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.58 33.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.53 126.97 25.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -91.38 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.038 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 66.23 158.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.62 150.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 170.92 21.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -139.28 78.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 80.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.56 -152.28 17.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.52 86.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 9' ' ' THR . 15.3 t -86.13 64.2 8.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -133.92 148.41 68.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.68 159.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 t -171.83 106.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.9 82.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -141.97 77.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 36.7 t -147.03 109.16 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.4 ttm-85 -144.73 129.43 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -114.15 128.53 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -97.32 98.9 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.972 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mt -85.29 116.35 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.51 12.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 50.55 42.83 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG21 ' A' ' 33' ' ' VAL . 1.1 tt -92.81 114.02 26.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' VAL . 56.9 t-20 -68.49 67.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.7 p -57.77 -16.89 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.7 mt -67.99 -12.58 61.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.02 -50.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.1 t -62.45 146.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.27 147.94 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -44.11 -49.14 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -33.33 65.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 t70 -69.28 -35.09 75.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.938 HG21 HD11 ' A' ' 23' ' ' LEU . 43.9 t -88.38 -17.52 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' SER . 7.2 mt-10 -90.63 -36.28 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.87 -46.5 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 32' ' ' ASP . 85.1 mt -60.25 -31.02 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.41 -41.21 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.2 m -45.23 -25.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -73.82 -43.73 57.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' PHE . 7.0 m-85 -65.61 -10.01 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.19 164.0 13.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -72.25 128.11 34.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 mt -94.84 139.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 17.1 m -110.53 -24.26 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.27 119.04 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 12.8 t -132.07 136.34 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.9 m -135.48 145.27 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 ' CB ' ' A' ' 53' ' ' ALA . 77.3 t -129.56 120.11 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.7 m-70 -118.4 131.2 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 8.1 tttp -40.5 97.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.53 -37.89 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' HIS . 29.0 p90 -162.33 167.08 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -139.81 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.4 m-85 -144.46 129.26 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.972 HG23 HD11 ' A' ' 20' ' ' ILE . 89.1 t -114.12 146.35 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.66 111.68 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 57.5 m-85 -88.88 163.07 15.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.47 -37.41 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -131.69 168.43 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -73.21 -53.25 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.3 ttp180 -37.38 -46.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.749 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 27.5 m120 -59.97 -51.74 68.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -49.19 -60.25 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -48.16 -34.68 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.81 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.49 -50.96 70.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.946 HG22 HG13 ' A' ' 18' ' ' VAL . 71.2 t -43.92 -30.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.85 -34.73 13.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -81.01 -73.7 1.17 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.818 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.6 mm-40 -39.73 -70.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.3 t70 -36.23 112.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.86 22.95 7.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -105.52 134.95 47.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.29 88.59 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -99.01 122.77 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.53 5.71 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.95 55.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.452 HE22 ' ND2' ' A' ' 24' ' ' ASN . 1.2 mt-30 -121.12 142.62 49.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.32 146.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 75' ' ' ILE . 81.0 mt -104.24 122.43 45.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.15 100.26 13.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.818 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.8 mt -116.79 154.01 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -159.34 157.36 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -75.89 132.49 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -63.3 81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -171.22 -52.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.88 105.88 54.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.63 22.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -22.68 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.62 104.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.08 97.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -97.37 101.44 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -97.52 156.51 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.69 95.51 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.75 93.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.76 120.48 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -171.99 134.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.38 145.56 16.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 -107.9 3.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.64 86.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.02 153.9 29.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.1 178.31 46.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.28 84.67 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.82 134.46 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.88 147.87 49.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 60.69 5.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.47 77.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.7 62.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.3 mmt -128.18 166.14 19.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -150.45 -62.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 51.6 p -87.16 100.34 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -145.51 141.57 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 HG22 ' A' ' 67' ' ' VAL . 49.9 t -129.4 131.21 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -102.64 100.79 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.643 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -86.57 107.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.06 176.91 22.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 79' ' ' VAL . 13.4 t30 42.59 38.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.44 114.3 25.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 6.3 t-20 -62.73 79.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 23' ' ' LEU . 68.9 p -73.03 2.37 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.4 mt -90.1 -16.28 29.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 28' ' ' VAL . 4.1 m -126.68 -50.85 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -66.86 150.15 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -177.58 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.5 -47.69 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -25.51 63.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.5 m-20 -72.09 -30.52 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.846 HG21 HD11 ' A' ' 23' ' ' LEU . 41.2 t -94.8 -19.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -90.1 -21.34 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.15 -47.71 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -60.04 -30.76 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.8 m-85 -92.5 -15.3 27.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 -21.13 66.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -84.42 -4.89 59.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 66' ' ' ALA . 8.0 m-85 -109.51 15.46 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.39 -173.52 21.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -99.6 116.39 31.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.8 mt -78.62 131.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' GLN . 14.9 m -107.73 -30.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.04 115.12 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.89 146.82 52.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 3.8 p -148.35 151.58 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' HD2' ' A' ' 30' ' ' LYS . 77.1 t -130.1 114.37 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.4 m-70 -114.71 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.598 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -39.46 101.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.7 -30.71 3.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' HIS . 13.5 p90 -168.04 -171.6 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -156.54 161.37 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 7.7 m-85 -130.93 139.43 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.643 HG23 ' CD1' ' A' ' 20' ' ' ILE . 39.3 t -126.01 148.22 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -134.72 107.89 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 50.6 m-85 -83.95 170.7 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG12 ' ND2' ' A' ' 59' ' ' ASN . 2.6 t -67.28 -26.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.502 ' ND2' HG12 ' A' ' 58' ' ' VAL . 32.8 m-20 -146.82 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ARG . 6.4 tt0 -58.54 -53.25 60.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' GLU . 4.2 mtt180 -38.71 -44.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 67.4 m-20 -63.6 -53.23 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -51.97 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' ALA . 11.2 ttt180 -38.71 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.19 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -58.03 -52.76 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 HG13 ' A' ' 18' ' ' VAL . 71.3 t -43.66 -29.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.84 -35.75 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -82.86 -74.36 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.872 ' HB3' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -38.43 -63.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t0 -39.94 106.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.35 -8.65 13.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.07 134.25 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.39 101.13 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.903 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -109.67 124.98 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.11 6.09 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.38 17.38 36.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.575 1.172 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.49 147.66 52.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 77.3 t -80.71 130.89 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.903 HD21 HG22 ' A' ' 75' ' ' ILE . 63.4 mt -92.0 123.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.88 100.29 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -113.96 150.04 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -163.98 142.86 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.867 ' HG ' HG21 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -60.93 129.08 39.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.33 77.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -169.52 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.43 120.17 59.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.74 16.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -88.71 47.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 t -108.46 131.86 57.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -43.62 -55.18 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 70.6 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.38 -70.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.3 160.27 21.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.89 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.91 144.39 46.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -133.33 140.09 47.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.46 81.97 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 109.956 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -48.33 -58.82 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.11 -131.57 42.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m 62.88 119.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.25 -58.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.07 -151.99 0.32 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.66 108.03 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -81.83 146.79 29.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -135.63 147.13 60.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 178.91 -50.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 t -64.58 166.03 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.08 86.49 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -144.67 77.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -126.63 100.74 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.852 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -144.2 141.42 29.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 67' ' ' VAL . 45.4 t -128.57 130.87 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -104.16 99.28 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.91 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.92 121.51 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -116.76 174.21 15.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.7 t30 39.46 50.99 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.81 116.39 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.5 t-20 -64.3 77.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 27.4 p -71.23 2.01 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.73 -15.92 31.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.8 -50.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ASN . 4.5 t -64.33 149.55 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 5.0 tptt -117.21 143.42 45.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -41.37 -55.77 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.2 m -46.16 -37.85 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.1 m-20 -65.59 -35.48 80.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 23' ' ' LEU . 41.3 t -85.6 -19.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.9 mt-10 -90.04 -24.92 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -90.03 -47.18 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 32' ' ' ASP . 65.1 mt -59.83 -30.77 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.39 -14.34 28.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -67.59 -11.09 57.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.75 -27.29 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 35.5 m-85 -90.86 20.6 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.43 177.95 15.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -89.24 133.87 34.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 37' ' ' PHE . 83.8 mt -91.85 137.83 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -110.07 -26.4 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.34 116.71 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.5 t -125.55 149.37 48.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.04 145.22 29.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 30' ' ' LYS . 41.5 t -128.81 124.37 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' HG21 ' A' ' 25' ' ' THR . 31.9 m-70 -118.05 150.69 38.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -62.02 81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 145.08 -22.95 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -170.12 -171.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -159.06 166.63 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.1 135.04 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG23 ' CD1' ' A' ' 20' ' ' ILE . 72.5 t -120.6 141.26 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -125.79 108.9 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 83.1 m-85 -85.41 169.63 13.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.99 -33.35 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -135.84 160.36 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' ALA . 44.5 tt0 -70.13 -50.64 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.5 ttt85 -37.6 -47.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.4 m120 -68.03 -47.31 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -49.39 -65.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 84' ' ' LEU . 47.6 ttt85 -46.47 -36.73 6.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.71 -60.63 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.524 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.53 -51.0 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.764 ' CG2' HG13 ' A' ' 18' ' ' VAL . 3.3 t -52.88 -22.74 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.88 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.79 -73.44 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -39.47 -66.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 32.9 t70 -39.57 104.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.85 18.47 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -98.81 135.18 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.24 93.7 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.72 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -101.94 119.42 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.34 4.35 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.93 7.26 50.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.79 147.71 50.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.25 154.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.72 HD21 HG22 ' A' ' 75' ' ' ILE . 95.0 mt -111.67 127.38 55.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLY . 38.8 t70 -92.97 100.01 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -115.58 154.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 p-10 -164.75 140.01 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 17' ' ' ARG . 2.6 mt -61.91 127.03 29.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.74 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -159.26 -64.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -108.8 113.14 59.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -6.87 18.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 42.67 47.84 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -99.48 142.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -118.91 107.74 13.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -98.18 101.81 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.27 109.82 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -123.11 -157.25 9.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 87.86 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 t 58.57 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 90.83 3.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -104.7 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 t -179.15 89.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.52 -172.53 0.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -150.48 -59.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p 41.61 87.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.61 74.79 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.88 98.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.84 112.97 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.82 151.34 68.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.01 19.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.86 76.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.09 83.51 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.2 169.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.86 58.5 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -110.06 98.08 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.635 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt85 -142.06 133.13 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 67' ' ' VAL . 61.8 t -121.5 125.22 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HD2' HD22 ' A' ' 83' ' ' ASN . 22.1 t80 -95.87 100.24 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.726 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -85.96 101.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.41 179.63 30.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 40.56 34.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -90.21 114.1 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.694 HD22 HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -64.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.9 p -75.1 2.55 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -88.41 -8.23 55.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.694 HG22 HD22 ' A' ' 24' ' ' ASN . 4.4 m -137.25 -49.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.4 t -67.49 150.43 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 179.81 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.26 -45.86 53.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.5 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.643 ' O ' HD12 ' A' ' 36' ' ' ILE . 64.9 m-20 -81.5 -29.8 33.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 23' ' ' LEU . 93.7 t -94.65 -13.99 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -90.39 -39.34 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.91 -33.69 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 32' ' ' ASP . 77.7 mt -71.63 -34.06 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.53 -12.29 32.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -67.03 -9.15 36.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 2.9 ptmt -96.73 -0.12 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 19.6 m-85 -117.03 20.05 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.54 171.02 13.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -82.65 130.39 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 46' ' ' CYS . 68.6 mt -91.34 133.34 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 8.9 m -109.85 -29.65 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -147.89 119.32 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 43' ' ' ILE . 19.4 p -132.25 144.81 50.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 1.6 p -149.17 138.35 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 30' ' ' LYS . 72.5 t -122.37 112.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 17.9 m-70 -111.48 129.63 55.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -39.91 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.19 -33.77 2.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -163.39 -172.83 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -154.51 157.42 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -128.17 122.69 32.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.5 t -109.34 149.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -135.54 109.17 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 48.3 m-85 -85.98 170.92 11.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.9 -28.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -139.77 159.72 41.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.6 tt0 -70.5 -51.99 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -47.24 -40.73 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 34.8 m-20 -71.07 -30.39 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -70.9 -65.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 84' ' ' LEU . 7.4 ttm180 -40.47 -33.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.74 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.1 -40.93 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 18' ' ' VAL . 79.2 t -54.75 -29.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.81 -34.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.7 -74.16 1.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.691 ' HB3' HD12 ' A' ' 82' ' ' ILE . 12.1 mm-40 -39.83 -65.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' GLU . 16.7 t70 -38.59 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.41 24.12 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -104.0 134.07 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.55 93.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.777 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -108.88 121.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.2 0.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.46 -6.75 39.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.4 mt-30 -116.71 154.41 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.56 151.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD21 HG22 ' A' ' 75' ' ' ILE . 72.0 mt -107.03 127.01 53.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' OD2' ' CE ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -96.93 100.7 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.6 mt -113.67 153.65 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.448 HD22 ' HD2' ' A' ' 19' ' ' PHE . 12.6 p30 -164.44 144.0 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.722 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -61.89 129.41 40.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -168.86 -58.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.38 108.06 59.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.67 8.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' CE ' ' OD2' ' A' ' 81' ' ' ASP . 8.3 pttm -71.15 63.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -96.84 136.54 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -58.31 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.58 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.0 p -64.79 146.85 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.33 80.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.12 6.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 p 170.65 122.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 m 54.64 169.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -71.15 160.26 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 p -43.65 166.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.66 -107.16 1.79 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -115.4 140.11 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -169.19 102.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.23 -112.59 1.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -89.7 167.0 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.62 70.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.67 155.74 47.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.06 7.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -170.09 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.51 -56.74 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -132.32 90.87 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -157.82 75.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 11.9 p -126.57 98.29 5.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 ttm105 -142.64 128.21 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.641 HG13 HG22 ' A' ' 67' ' ' VAL . 57.1 t -113.75 134.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.96 100.05 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -84.47 121.51 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.36 171.47 14.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.77 51.48 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.59 114.16 28.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.77 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.83 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 p -74.77 2.96 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.35 -7.88 55.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 24' ' ' ASN . 4.3 m -138.37 -50.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.2 t -67.77 150.77 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.16 -177.33 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.76 -45.32 37.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -57.4 -29.49 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' HG13 ' A' ' 28' ' ' VAL . 3.5 t70 -70.55 -30.59 67.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.1 t -91.1 -19.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 7.0 mt-10 -89.63 -27.1 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.98 -48.23 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -58.78 -31.25 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.93 -16.16 25.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -63.31 -12.37 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.65 0.25 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.33 20.05 13.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.15 170.81 13.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -82.03 132.17 35.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.2 mt -93.02 132.13 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 9.5 m -104.87 -25.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -153.25 126.73 2.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 11.6 p -132.74 147.37 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 1.7 p -149.42 137.72 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 30' ' ' LYS . 73.0 t -130.49 108.95 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' PHE . 28.3 m-70 -111.11 129.19 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.49 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.07 -26.14 5.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 52.9 p90 -168.78 -167.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 47' ' ' SER . . . -167.33 173.24 9.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CA ' HD12 ' A' ' 20' ' ' ILE . 6.8 m-85 -147.87 148.8 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 20' ' ' ILE . 6.9 t -129.86 153.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -136.49 104.08 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 70.5 m-85 -81.33 170.61 15.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.19 -31.63 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -133.34 174.39 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -83.23 -48.82 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -47.97 -35.05 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 39.9 m-20 -72.92 -46.11 54.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -56.29 -63.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -42.93 -38.86 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.86 -63.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.36 -50.09 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 18' ' ' VAL . 24.5 t -50.92 -23.96 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -31.9 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -92.84 -74.32 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.8 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -37.42 -67.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.6 t70 -39.22 112.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.94 23.9 6.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -102.21 138.02 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.97 89.58 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.899 HG22 HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -98.27 119.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.06 0.45 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.52 1.02 37.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.421 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 4.2 mt-30 -119.61 145.36 46.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.8 151.46 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.899 HD21 HG22 ' A' ' 75' ' ' ILE . 81.8 mt -108.62 123.24 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.7 t70 -92.21 99.56 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -115.07 156.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 5.0 t30 -163.64 160.84 23.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -78.56 135.87 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.39 76.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -164.46 -55.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 5.1 mt-10 -110.58 114.5 54.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.87 15.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.11 54.41 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.54 122.61 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 74.09 -64.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -172.31 132.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.29 117.46 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.44 115.65 0.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.39 40.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -176.67 122.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.7 t -106.12 -58.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p -68.33 123.48 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.761 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.24 91.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.42 98.63 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 p -128.02 147.35 50.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -148.28 136.57 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 124.86 2.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.6 144.79 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -123.88 154.06 40.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -134.53 145.52 55.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.41 33.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -158.03 159.86 36.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p -110.25 125.13 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt 38.21 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -156.45 76.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 4.4 p -134.63 97.45 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -143.23 130.55 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG13 HG22 ' A' ' 67' ' ' VAL . 48.3 t -115.51 129.7 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -101.06 99.7 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.55 120.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.57 174.75 15.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.9 t30 38.85 47.92 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -104.92 114.25 28.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.786 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.82 79.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.9 p -74.55 2.84 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.9 mt -88.37 -7.26 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.786 HG22 HD22 ' A' ' 24' ' ' ASN . 3.8 m -137.29 -49.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.9 t -70.35 140.68 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -177.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.28 -40.19 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -19.54 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.677 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 m-20 -82.02 -30.89 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 23' ' ' LEU . 46.6 t -93.92 -12.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 38' ' ' SER . 8.3 mt-10 -89.72 -45.33 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -21.71 58.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 32' ' ' ASP . 37.3 mt -81.08 -36.45 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.673 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.2 m-85 -93.0 -22.48 19.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -65.56 -16.35 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -10.65 54.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -101.86 -0.6 33.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.01 159.18 8.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.12 131.67 48.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.01 133.74 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.5 m -109.77 -24.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -146.99 121.26 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 12.1 p -131.68 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -149.16 142.67 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.62 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.4 t -131.9 115.55 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 70.4 m-70 -115.94 125.55 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 12.1 mttp -39.9 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.25 -11.79 6.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 18.9 p90 174.73 -176.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -156.03 173.28 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.4 m-85 -149.9 139.39 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.758 HG23 HD11 ' A' ' 20' ' ' ILE . 93.9 t -127.47 144.72 36.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -125.97 112.16 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 85.8 m-85 -88.7 170.27 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.55 -30.97 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -143.42 149.13 37.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.9 tt0 -57.9 -48.32 80.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.3 mtm180 -37.71 -47.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.1 m-20 -68.58 -46.76 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.88 -63.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 84' ' ' LEU . 64.1 ttt180 -43.66 -40.19 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.18 -62.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -54.36 -52.47 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.674 HG22 HG13 ' A' ' 18' ' ' VAL . 22.2 t -49.16 -24.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.18 -31.7 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.43 -73.3 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.683 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -36.84 -72.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -38.63 122.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.41 27.14 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.512 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.6 ttt180 -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.73 90.4 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -101.97 117.07 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.49 -3.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.27 6.15 29.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -129.13 150.73 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.36 154.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 68.6 mt -109.99 125.44 52.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' GLY . 35.7 t70 -94.88 99.64 11.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -118.23 156.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -164.99 161.03 19.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 17' ' ' ARG . 3.6 mt -77.91 128.86 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.4 73.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -161.38 -49.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -115.72 95.65 44.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.9 22.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 47.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 t -106.78 123.78 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.93 106.77 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -68.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -168.07 144.91 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.02 -84.96 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.83 39.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.8 t -162.32 118.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.1 p -171.4 136.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -167.11 -58.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -118.95 151.1 38.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.28 163.87 34.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -87.07 163.96 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -166.18 142.82 5.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 153.81 24.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.45 51.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -114.61 76.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -131.69 135.45 26.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -167.02 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.44 141.28 41.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 157.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -82.67 86.85 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -152.61 75.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -139.14 98.25 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.801 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.63 142.93 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 47.2 t -130.55 124.43 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -97.62 99.71 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -83.57 103.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -99.3 178.39 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.9 t30 39.49 37.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.84 116.03 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t-20 -62.79 78.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 23' ' ' LEU . 29.2 p -72.68 1.86 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -89.45 -16.37 30.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 28' ' ' VAL . 3.8 m -126.26 -48.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 27' ' ' VAL . 3.1 t -71.28 150.65 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -121.88 143.39 49.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.16 -38.31 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 4.4 t -57.2 -49.25 76.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.662 ' O ' HD12 ' A' ' 36' ' ' ILE . 14.0 m-20 -61.05 -28.46 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 23' ' ' LEU . 95.6 t -88.64 -15.46 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' SER . 5.3 mt-10 -90.0 -44.8 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 32' ' ' ASP . 71.9 mt -80.44 -35.62 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.628 ' HB2' HD11 ' A' ' 43' ' ' ILE . 4.0 m-85 -92.12 -12.58 32.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -64.32 -15.72 60.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -28.58 22.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 70' ' ' GLU . 25.1 m-85 -84.27 10.74 9.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.34 166.42 11.38 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -76.39 126.93 31.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 37' ' ' PHE . 76.3 mt -90.92 130.58 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.8 m -106.19 -25.66 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.74 122.41 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.2 p -130.88 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -149.36 139.98 22.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 30' ' ' LYS . 86.4 t -126.4 112.83 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 83.1 m-70 -113.86 127.22 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 4.1 mttt -39.63 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.18 -17.46 7.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 34.7 p90 179.27 -167.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.34 158.77 30.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -124.79 129.42 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 20' ' ' ILE . 25.6 t -118.45 141.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 3.4 tp60 -126.69 116.05 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 47.4 m-85 -91.13 170.79 9.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.61 -30.86 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 170.68 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -74.19 -53.57 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.86 -38.02 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.92 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -75.85 -65.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 84' ' ' LEU . 43.0 ttt180 -38.8 -39.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.3 -63.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.58 -51.62 68.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 71.7 t -44.37 -30.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -33.45 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -85.97 -74.9 1.26 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 26.1 mm-40 -39.66 -62.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.4 t70 -38.98 110.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.21 22.1 7.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -98.7 136.1 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.79 95.0 9.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.823 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -106.39 122.94 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.04 1.9 3.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.39 4.25 46.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 150.58 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.9 153.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD21 HG22 ' A' ' 75' ' ' ILE . 84.9 mt -112.79 126.65 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 100.42 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 70' ' ' GLU . 4.4 mt -113.47 153.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -164.6 141.56 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.845 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.3 mt -61.72 125.24 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.04 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -172.13 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -123.28 106.4 33.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 90' ' ' VAL . 18.3 Cg_endo -74.99 -5.01 16.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 39.78 34.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 88' ' ' PRO . 6.3 t -95.96 117.61 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -50.03 -61.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.41 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.6 mtp85 -49.79 130.98 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.231 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.4 m -44.3 -61.68 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.89 96.72 1.03 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -156.91 152.51 26.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 m 41.62 78.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.1 96.38 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -84.07 -58.76 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.44 -69.71 0.57 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -115.09 113.74 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.57 95.56 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.49 145.12 26.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.71 89.48 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.0 p -50.01 109.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.44 163.1 60.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.45 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.29 -48.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.78 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.52 158.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 61.79 73.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 60' ' ' GLU . 2.0 m -121.81 97.57 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -150.68 138.31 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.779 HG13 HG22 ' A' ' 67' ' ' VAL . 47.4 t -121.9 120.42 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HD2' HD22 ' A' ' 83' ' ' ASN . 18.5 t80 -93.16 105.13 17.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -89.89 113.1 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -110.13 179.85 20.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLY . 35.3 t30 39.82 34.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -83.7 113.99 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' VAL . 42.7 t-20 -69.41 61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.9 p -50.4 -23.62 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.01 -14.09 51.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.02 -46.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -74.5 149.89 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 3.2 tptt -121.81 155.13 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 tttt -49.07 -57.32 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -49.94 -37.0 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.62 -35.57 80.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.784 HG21 HD11 ' A' ' 23' ' ' LEU . 56.7 t -85.14 -19.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LYS . 14.3 mt-10 -90.32 -30.03 17.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -81.96 -47.97 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CG2' ' OE2' ' A' ' 70' ' ' GLU . 64.2 mt -60.16 -32.58 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.71 -12.22 32.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -68.21 -16.61 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.63 -12.74 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.683 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 16.9 m-85 -102.36 25.07 9.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.58 175.24 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 127.05 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 46' ' ' CYS . 85.7 mt -88.22 136.75 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.1 m -109.73 -27.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.45 117.94 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' ILE . 16.7 t -133.09 145.72 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.447 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 12.7 m -147.51 150.72 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 53' ' ' ALA . 48.7 t -135.81 118.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLY . 59.0 m-70 -116.78 133.0 56.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 7.4 tttt -40.01 98.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.52 -38.55 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -157.59 -172.2 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -158.31 170.83 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.48 144.79 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 57' ' ' TYR . 7.8 t -130.87 143.02 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.9 106.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 53.9 m-85 -82.64 165.85 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.84 -39.98 42.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -136.65 166.96 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 16' ' ' SER . 9.9 tt0 -66.84 -43.72 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 62' ' ' ASN . 20.0 ptt180 -52.13 -40.35 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 6.7 m-20 -71.04 -25.07 62.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -82.08 -44.41 16.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.25 -26.59 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -61.5 -38.71 88.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.843 HG21 ' HG ' ' A' ' 84' ' ' LEU . 4.8 t -63.12 -19.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.27 -22.03 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -104.95 -74.82 0.98 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 38.2 mm-40 -35.87 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -35.83 104.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.79 8.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -92.93 132.21 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.731 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.59 87.53 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 28.1 mt -107.01 120.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 82.54 1.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.16 -7.59 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.27 141.89 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.48 110.19 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.619 HD22 ' HA ' ' A' ' 23' ' ' LEU . 19.0 mt -67.16 126.63 29.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 99.91 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.504 ' HB ' ' CG ' ' A' ' 71' ' ' ASP . 8.9 mt -117.51 153.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.441 HD22 ' HD2' ' A' ' 19' ' ' PHE . 11.5 p30 -166.57 144.02 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.843 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -61.95 126.64 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.03 83.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.24 -50.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.28 101.64 46.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.15 27.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -54.98 -20.18 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.0 t -72.14 101.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -91.4 126.89 36.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.38 -53.57 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.03 148.94 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.99 36.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.16 115.17 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.7 p 44.94 84.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -169.39 136.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -100.51 146.99 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 62.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -135.82 112.09 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -126.04 114.52 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.25 -152.64 21.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.52 97.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.5 t -166.34 163.6 17.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -139.12 151.84 68.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -175.64 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.42 106.93 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.29 148.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.62 80.01 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -147.16 72.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.574 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 33.4 t -145.85 107.55 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -141.17 131.7 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 67' ' ' VAL . 58.8 t -116.11 132.26 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.53 102.1 12.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.763 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -88.09 121.01 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.71 175.74 15.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.7 t30 45.2 35.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 0.724 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -87.51 113.69 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.743 ' ND2' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.9 78.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 23' ' ' LEU . 36.7 p -73.27 2.55 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.18 -8.7 50.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.743 HG22 ' ND2' ' A' ' 24' ' ' ASN . 3.9 m -138.5 -50.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.3 t -64.09 150.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.7 tptt -115.37 148.54 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -45.28 -56.83 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -27.06 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.7 t0 -71.46 -30.27 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 23' ' ' LEU . 44.7 t -93.22 -18.42 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.59 -24.16 20.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.9 -44.8 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.2 mt -61.41 -32.37 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.743 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.7 m-85 -92.61 -13.38 29.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.89 -23.29 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -5.17 54.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -112.59 23.38 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.9 166.63 12.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -81.74 117.76 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.557 HD11 ' HB2' ' A' ' 37' ' ' PHE . 46.8 mt -79.4 128.22 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.2 m -96.83 -27.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.18 124.12 1.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.457 ' HB2' HG21 ' A' ' 43' ' ' ILE . 33.0 t -132.7 141.47 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -135.39 147.58 49.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.935 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG22 ' HB1' ' A' ' 53' ' ' ALA . 84.3 t -133.43 119.03 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.3 m-70 -118.61 131.93 56.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -41.2 97.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.79 -34.74 2.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 17.3 p90 -160.19 -171.35 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.531 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -163.77 170.5 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.64 153.36 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.763 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.3 t -136.26 136.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -120.24 108.51 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 55' ' ' VAL . 77.4 m-85 -87.25 159.18 18.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.71 -31.49 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -133.55 159.45 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.08 -52.23 37.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -42.71 -39.45 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 69.4 m-20 -63.86 -44.09 94.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.574 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -55.56 -64.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -45.75 -42.42 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -45.76 -64.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -55.4 -51.66 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.677 ' CG2' HG13 ' A' ' 18' ' ' VAL . 24.2 t -48.88 -24.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.03 -32.42 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.78 -74.38 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.7 mm-40 -36.88 -67.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.738 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' GLU . 6.5 t70 -39.39 120.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.68 25.89 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -107.37 135.34 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.37 90.63 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -104.0 118.27 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.62 -2.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.45 -9.72 28.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.2 mt-30 -113.96 155.71 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.6 146.82 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 75' ' ' ILE . 92.2 mt -100.48 125.82 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.83 100.49 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.3 mt -109.4 161.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 7.3 t30 -164.63 160.5 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -80.16 136.34 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -65.54 75.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -165.91 -54.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 2.9 mt-10 -115.79 112.42 42.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.05 22.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -91.89 47.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 t -106.99 139.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.32 110.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 61.22 140.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 p -49.49 -58.37 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.072 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 150.92 156.88 7.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -42.74 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.7 t -112.6 153.72 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t 59.35 157.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -163.99 93.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -98.03 130.51 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.66 83.66 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 164.32 8.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -59.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.34 120.18 4.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -118.06 89.58 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -81.14 125.1 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.67 156.48 58.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.66 2.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 73.61 -61.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.14 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.072 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.16 96.24 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -161.4 72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.8 p -128.36 97.66 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.816 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.5 ttt180 -137.95 147.25 44.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 67' ' ' VAL . 48.9 t -133.44 134.51 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -106.42 98.7 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.858 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.34 113.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -112.3 174.02 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.4 t30 39.81 51.55 2.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.741 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.12 116.94 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.484 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.9 t-20 -62.32 79.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 23' ' ' LEU . 79.9 p -72.82 2.76 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.72 -15.23 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -127.32 -51.62 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -65.43 149.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' ASP . 4.0 tptt -120.29 153.02 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -46.07 -56.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -46.82 -43.45 18.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 m-20 -61.88 -31.35 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 42.7 t -87.76 -19.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.5 mt-10 -90.24 -25.2 20.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -87.82 -40.47 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 89.4 mt -67.45 -32.91 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -91.97 -12.66 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -67.48 -10.27 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -95.31 -6.93 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 13.0 m-85 -108.33 23.46 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.49 171.04 13.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -81.95 122.28 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 37' ' ' PHE . 50.9 mt -83.05 130.2 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -103.08 -24.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.48 121.98 1.07 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 55' ' ' VAL . 25.5 t -130.17 141.55 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -140.47 149.56 42.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG23 ' HD2' ' A' ' 30' ' ' LYS . 49.7 t -131.14 107.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 18.4 m-70 -105.93 126.63 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -38.56 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.7 7.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 49' ' ' HIS . 8.5 p90 -172.47 -171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -153.25 169.33 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 17.6 m-85 -143.66 130.09 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 20' ' ' ILE . 75.5 t -118.93 148.63 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -132.28 111.2 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 68.7 m-85 -88.07 169.2 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.14 -38.22 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 175.47 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -53.71 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -41.41 -31.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.831 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.4 m120 -77.89 -51.03 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.15 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 84' ' ' LEU . 18.5 ttm180 -38.19 -34.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.95 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.76 -49.88 73.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 18' ' ' VAL . 78.1 t -47.07 -30.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.5 -34.6 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -82.84 -74.67 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.765 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -39.98 -67.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.4 t70 -36.93 112.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.98 24.24 6.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -106.63 136.83 45.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 78' ' ' GLN . 0.4 OUTLIER -90.08 93.37 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -102.71 117.93 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.76 -0.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.06 -9.78 29.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' MET . 3.1 pt20 -108.14 152.5 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.96 147.03 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 55.2 mt -104.48 118.07 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 100.16 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -111.67 153.4 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.1 p-10 -161.2 141.1 10.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.1 mt -61.85 127.27 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -173.7 -61.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -103.26 107.7 56.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.19 117.57 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.91 106.52 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.26 147.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m -155.68 -76.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.16 -118.14 3.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.37 30.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.2 m -78.57 153.8 30.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -142.72 122.72 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.08 -52.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m 57.62 163.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.38 165.4 12.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -116.52 162.17 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -179.69 97.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.75 76.99 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.99 105.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.354 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.0 p -126.77 -55.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.62 150.14 74.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.11 42.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -65.59 152.23 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -108.65 -57.86 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -140.19 83.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -146.12 76.09 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' A' ' 57' ' ' TYR . 12.9 t -120.31 100.31 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.652 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt180 -147.68 135.76 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.836 HG13 HG22 ' A' ' 67' ' ' VAL . 93.7 t -128.0 124.33 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 82' ' ' ILE . 5.4 t80 -95.38 115.44 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.834 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp -95.93 101.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -95.47 176.38 33.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' GLY . 15.1 t30 39.5 48.17 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.16 113.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -64.39 80.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.6 p -73.39 2.74 7.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.97 -7.82 56.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG23 HG23 ' A' ' 28' ' ' VAL . 4.2 m -140.1 -50.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.652 HG13 ' OD2' ' A' ' 32' ' ' ASP . 3.2 t -65.69 150.47 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 -177.75 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.08 -21.09 51.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -82.9 -9.92 59.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.652 ' OD2' HG13 ' A' ' 28' ' ' VAL . 1.1 t70 -84.76 -34.06 22.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 23' ' ' LEU . 38.8 t -94.47 -14.1 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 25.5 mt-10 -90.71 -31.33 16.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.92 -55.77 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 32' ' ' ASP . 84.1 mt -50.29 -29.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.887 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.4 m-85 -92.36 -26.82 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -53.24 -32.63 49.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.42 -32.11 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 69' ' ' GLY . 11.3 m-85 -84.05 10.73 9.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.43 169.71 11.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.36 127.74 33.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 37' ' ' PHE . 80.6 mt -90.06 136.43 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 19.3 m -106.85 -26.8 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.7 121.39 1.04 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 29.5 t -133.11 135.43 45.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.9 m -133.4 152.28 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG22 ' HB1' ' A' ' 53' ' ' ALA . 86.4 t -133.79 121.0 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 93.0 m-70 -115.59 134.01 55.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.554 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -40.16 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.62 -41.17 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 10.3 p90 -152.66 -169.16 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -160.43 177.87 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -143.42 152.29 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 57' ' ' TYR . 43.5 t -136.29 131.63 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -118.27 110.76 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 55' ' ' VAL . 41.4 m-85 -87.67 170.14 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.87 -24.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -143.53 164.62 29.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ALA . 5.2 tm-20 -71.99 -49.72 34.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -46.06 -39.01 8.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.9 m120 -70.11 -36.13 74.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB1' HG23 ' A' ' 18' ' ' VAL . . . -60.41 -64.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 34.1 ttm180 -47.55 -44.92 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -40.6 -59.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.44 -51.75 67.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.836 HG22 HG13 ' A' ' 18' ' ' VAL . 78.4 t -43.42 -30.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.9 -34.17 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -82.98 -74.96 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 1.5 mm-40 -42.87 -62.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.624 ' N ' HD12 ' A' ' 82' ' ' ILE . 29.8 t70 -39.87 117.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.66 21.26 9.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HE ' HD12 ' A' ' 75' ' ' ILE . 3.4 ttt85 -98.97 137.09 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 95.97 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -108.44 120.8 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.79 7.7 2.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.18 -7.07 58.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.433 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 7.5 mp0 -114.75 153.71 29.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.79 152.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD21 ' CG2' ' A' ' 75' ' ' ILE . 99.0 mt -106.02 129.26 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.75 100.73 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 71' ' ' ASP . 5.6 mt -110.6 156.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 19' ' ' PHE . 4.1 p30 -164.73 140.14 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.816 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.12 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 78.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -170.54 -57.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.25 103.74 55.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 90' ' ' VAL . 18.2 Cg_endo -75.01 -7.68 19.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 39.47 36.45 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 88' ' ' PRO . 21.0 t -99.07 98.27 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 48.83 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.12 163.5 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 p -146.68 165.33 29.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.86 -117.79 4.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.63 41.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 m -160.49 -55.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.71 -58.46 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.4 ttt85 -141.26 150.21 42.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 56.2 t -139.58 121.11 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.72 99.15 11.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.03 107.75 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.07 174.53 22.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t30 46.02 40.72 7.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.41 114.04 26.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.51 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.4 t-20 -69.59 65.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.9 p -55.72 -18.11 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.21 -13.58 62.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.97 -48.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -70.13 143.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -179.28 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.31 -43.47 56.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -63.03 -23.39 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -76.08 -32.2 59.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.747 HG13 ' CE1' ' A' ' 37' ' ' PHE . 91.9 t -94.51 -16.3 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.7 mt-10 -90.44 -28.4 18.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.4 -45.02 9.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.9 mt -60.76 -31.07 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.747 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.1 m-85 -92.35 -12.88 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -67.94 -10.08 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -93.41 -12.52 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 14.4 m-85 -106.27 19.75 20.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.33 155.64 9.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.64 134.03 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -94.71 127.35 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.7 m -99.76 -32.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.61 116.72 0.79 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.687 ' SG ' HG22 ' A' ' 55' ' ' VAL . 52.4 t -132.86 138.57 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -144.15 147.86 34.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 53' ' ' ALA . 26.5 t -131.44 121.12 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' GLY . 67.1 m-70 -118.68 132.9 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.2 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.93 -34.72 2.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -163.35 -172.0 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -159.39 161.2 35.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -131.09 136.54 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.7 t -122.37 142.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -130.33 109.17 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 60.6 m-85 -85.31 170.99 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.66 -33.45 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.45 157.04 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -53.64 49.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -39.02 -44.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.794 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 15.1 m120 -64.17 -55.42 21.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.27 -62.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 84' ' ' LEU . 6.4 ttm-85 -45.57 -29.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -60.95 -61.25 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -57.07 -52.34 65.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 72.7 t -44.09 -30.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.74 -34.48 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -84.24 -74.39 1.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.789 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -38.47 -66.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 t70 -39.69 112.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.85 22.42 6.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -103.34 136.54 42.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.25 92.47 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -101.89 120.8 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.21 1.78 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.78 -0.03 39.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 150.04 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.11 153.57 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD21 HG22 ' A' ' 75' ' ' ILE . 88.4 mt -111.03 128.9 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 100.88 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.9 mt -115.55 153.81 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -164.78 144.0 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.16 128.03 34.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.31 76.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 4.0 ttt180 -139.44 133.34 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 67' ' ' VAL . 57.6 t -119.95 134.17 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -103.8 98.95 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.58 ' HA ' HG23 ' A' ' 82' ' ' ILE . 2.6 mp -84.21 115.01 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -110.74 176.81 19.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 40.67 41.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 0.785 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -93.47 114.27 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' VAL . 45.8 t-20 -68.8 66.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.4 p -58.74 -15.73 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.86 -12.1 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.92 -51.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -69.47 138.42 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.85 -178.31 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.665 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.93 -36.89 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -25.37 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.673 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 m-20 -77.6 -34.28 53.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 23' ' ' LEU . 90.1 t -90.51 -12.78 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CG ' ' SG ' ' A' ' 46' ' ' CYS . 9.1 mt-10 -90.65 -39.4 12.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -49.01 13.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.8 mt -56.04 -32.49 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.712 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -93.43 -14.58 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -65.38 -10.96 37.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.06 -30.48 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.4 m-85 -82.09 2.74 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.45 160.06 8.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -71.38 133.86 46.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 37' ' ' PHE . 65.1 mt -93.75 135.05 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 56' ' ' GLN . 10.2 m -105.73 -28.42 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.16 120.2 0.95 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 43' ' ' ILE . 20.5 p -132.97 152.71 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.33 148.46 29.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.665 HG23 ' HD2' ' A' ' 30' ' ' LYS . 78.0 t -130.41 120.36 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.7 m-70 -118.81 130.43 55.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.07 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.21 -37.74 2.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.9 p90 -155.18 -170.67 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -160.99 167.58 26.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.7 m-85 -137.32 151.49 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' CD1' ' A' ' 20' ' ' ILE . 13.1 t -138.68 138.38 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.2 tp60 -124.5 102.96 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 62' ' ' ASN . 70.7 m-85 -78.06 170.87 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.32 -23.19 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.67 144.01 24.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 tt0 -52.14 -47.61 65.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -39.18 -46.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.733 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 76.7 m-20 -67.15 -45.93 75.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.11 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -46.88 -37.02 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -51.6 -61.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.471 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -59.71 -53.42 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.793 ' CG2' HG13 ' A' ' 18' ' ' VAL . 5.2 t -46.64 -26.86 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.93 -32.74 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -89.67 -74.01 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.805 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.8 mm-40 -37.24 -67.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 5.1 t70 -39.88 113.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.8 22.82 6.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -103.89 137.04 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.73 92.43 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -103.34 119.01 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.12 5.67 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.2 -2.97 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.422 HE22 ' ND2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -117.86 150.85 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.05 150.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 75' ' ' ILE . 84.9 mt -106.11 128.7 54.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -97.54 100.53 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.805 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -114.58 155.4 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 11.9 t30 -158.56 162.95 37.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.03 136.43 36.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.13 73.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 24.1 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -147.69 128.45 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.863 HG13 HG22 ' A' ' 67' ' ' VAL . 59.3 t -113.63 133.25 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -102.29 98.76 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.593 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -83.78 115.64 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -117.82 157.2 15.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 t30 62.8 36.14 13.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -88.06 114.44 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.1 t-20 -70.26 64.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.2 p -54.08 -19.08 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.84 -12.29 53.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.89 -47.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.1 t -72.75 137.49 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -177.44 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.43 -45.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -21.69 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.79 -30.05 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 59.7 t -94.57 -15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.6 mt-10 -90.19 -37.88 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.69 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG23 ' NH1' ' A' ' 73' ' ' ARG . 80.4 mt -58.02 -32.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.6 m-85 -93.17 -13.49 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -65.65 -11.28 43.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -96.34 -4.97 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 10.2 m-85 -110.33 16.11 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 160.69 10.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -73.02 130.86 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.4 mt -92.36 134.84 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.8 m -109.65 -28.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -148.63 119.6 1.09 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.1 p -132.8 145.97 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.41 130.32 14.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.5 t -118.17 117.33 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLY . 57.2 m-70 -116.32 134.03 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -45.8 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 132.7 -30.27 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -162.19 -166.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -170.41 159.45 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.29 140.52 47.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' CD1' ' A' ' 20' ' ' ILE . 18.1 t -124.56 149.29 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -134.05 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 75.6 m-85 -82.52 170.82 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.55 -37.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -128.36 166.0 19.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' ALA . 1.1 tm-20 -74.95 -54.99 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -42.07 -29.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 25.6 m120 -78.33 -49.28 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -53.72 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HB2' HD11 ' A' ' 84' ' ' LEU . 42.2 ttt180 -43.88 -34.95 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.84 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -56.44 -51.22 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.863 HG22 HG13 ' A' ' 18' ' ' VAL . 38.0 t -47.67 -27.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.69 -34.25 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -85.53 -74.37 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.774 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.4 mm-40 -38.6 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' GLU . 21.5 t70 -37.92 118.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.84 27.69 6.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.701 ' NH1' HG23 ' A' ' 36' ' ' ILE . 10.9 ttt180 -110.83 138.95 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.15 91.83 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.747 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.3 118.24 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.96 -2.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.12 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -117.87 152.55 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.93 140.29 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD21 HG22 ' A' ' 75' ' ' ILE . 83.0 mt -95.09 126.51 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -96.45 100.45 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -117.16 155.82 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -160.79 162.14 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.528 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -78.36 135.31 37.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.5 74.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 20.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.844 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -136.61 146.57 46.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.003 HG13 HG22 ' A' ' 67' ' ' VAL . 54.6 t -134.01 127.45 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -98.98 99.15 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.903 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mt -84.52 114.88 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 165.52 12.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.81 34.33 24.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -84.3 113.8 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.457 ' HB3' HG23 ' A' ' 28' ' ' VAL . 21.6 t30 -73.14 63.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.5 p -50.02 -22.08 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.03 -12.22 53.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.43 -47.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' ' 24' ' ' ASN . 1.9 t -76.23 140.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -110.91 -177.71 3.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.56 -40.16 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -24.5 67.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.681 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.29 -35.45 55.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 96.3 t -89.63 -13.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 8.7 mt-10 -90.46 -37.69 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.11 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 32' ' ' ASP . 88.3 mt -66.53 -34.81 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.5 m-85 -92.81 -12.57 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -64.19 -27.0 68.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -77.02 -43.06 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 17.1 m-85 -63.6 -10.99 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.85 170.75 17.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -76.8 138.48 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 37' ' ' PHE . 95.9 mt -101.65 134.03 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -107.35 -28.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -151.75 118.29 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.527 ' HB3' HG21 ' A' ' 43' ' ' ILE . 30.0 p -132.57 147.66 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.43 141.08 23.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 30' ' ' LYS . 92.9 t -126.8 119.73 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 60.6 m-70 -118.65 130.93 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -40.22 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.43 -37.89 2.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 11.7 p90 -156.69 -171.11 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 0.772 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -162.7 166.54 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -140.07 140.84 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.903 HG23 ' CD1' ' A' ' 20' ' ' ILE . 55.6 t -125.75 147.37 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.03 105.14 7.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.612 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 38.7 m-85 -80.0 167.0 21.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.14 -37.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -128.3 175.0 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -81.73 -51.73 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -47.01 -36.82 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m-20 -68.24 -47.99 66.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -58.23 -64.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 84' ' ' LEU . 4.0 ttm-85 -42.57 -31.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -54.15 -60.62 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.87 -51.26 68.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.003 HG22 HG13 ' A' ' 18' ' ' VAL . 71.6 t -45.71 -28.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.17 -33.0 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -87.41 -73.65 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.891 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.9 mm-40 -36.46 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.76 109.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.08 20.38 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -105.08 135.64 46.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.61 99.33 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.69 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -112.25 116.86 53.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.67 -6.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.16 -8.77 15.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.28 154.96 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.5 t -87.63 132.37 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 75' ' ' ILE . 57.7 mt -84.54 125.17 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -92.86 100.68 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.891 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.3 mt -115.65 151.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 17.6 p-10 -161.97 142.05 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.844 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.3 mt -62.13 126.1 26.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -64.69 82.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 92.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -152.52 128.07 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 38.9 t -118.25 128.68 75.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -102.85 99.22 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -83.62 121.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -115.8 175.26 15.76 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 9.2 t30 40.07 47.71 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -97.15 115.4 27.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.3 t30 -69.06 64.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 23' ' ' LEU . 37.5 p -55.37 -18.2 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.5 mt -63.76 -15.02 57.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.22 -47.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -73.43 132.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -177.52 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -71.1 -45.65 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -20.68 58.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.642 ' O ' HD12 ' A' ' 36' ' ' ILE . 13.4 m-20 -81.91 -30.96 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 23' ' ' LEU . 92.3 t -94.52 -13.59 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 10.5 mt-10 -90.37 -40.32 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.27 -50.91 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.642 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.0 mt -54.87 -32.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.3 m-85 -92.84 -28.74 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.3 t -50.11 -27.11 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -39.42 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -71.9 -3.48 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.87 23.41 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -88.82 134.47 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 46' ' ' CYS . 84.2 mt -97.62 136.38 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.0 m -110.82 -27.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.52 119.23 0.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.7 p -131.87 146.88 52.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.46 133.12 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 30' ' ' LYS . 65.9 t -119.42 120.38 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 6.6 m-70 -118.72 130.18 55.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 10.8 tttp -40.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.58 -36.6 2.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -157.35 -171.53 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -163.54 167.27 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -138.29 146.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 20' ' ' ILE . 11.1 t -129.02 142.82 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.45 107.51 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.727 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . 24.9 m-85 -83.89 169.35 15.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.86 -20.75 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.29 171.46 15.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -81.12 -42.22 21.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -55.63 -35.41 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 85.0 m-20 -78.79 -38.78 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . . . -67.14 -61.0 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 84' ' ' LEU . 51.3 ttt85 -43.84 -36.66 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.5 -64.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.499 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.37 -42.77 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 76.8 t -54.42 -30.06 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -34.41 13.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.44 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.5 mm-40 -38.85 -66.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.3 t70 -39.35 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.18 19.17 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -100.47 135.61 41.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.1 91.8 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -100.56 119.28 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 76.92 7.4 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.71 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.78 148.49 49.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.28 148.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.7 HD21 HG22 ' A' ' 75' ' ' ILE . 84.2 mt -106.18 128.16 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 13.4 t70 -93.24 100.72 13.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -115.77 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.546 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 19.3 p-10 -164.91 141.84 5.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.4 mt -64.35 121.67 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -60.48 85.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 25.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -146.73 126.88 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.656 HG13 ' CG2' ' A' ' 67' ' ' VAL . 60.3 t -114.62 134.26 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.893 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.97 114.87 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.93 167.73 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 50.88 42.37 27.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -91.54 114.32 26.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.8 t30 -69.13 65.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.9 p -55.45 -17.93 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.1 -12.68 41.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -139.21 -47.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.7 t -66.23 131.32 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' CE ' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -103.53 176.0 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.654 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -70.76 -37.28 73.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -12.32 61.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 m-20 -89.19 -29.9 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' CE1' ' A' ' 37' ' ' PHE . 46.7 t -94.72 -17.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 11.9 mt-10 -90.66 -24.28 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.39 -47.85 6.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 32' ' ' ASP . 95.2 mt -58.51 -32.08 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.811 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.72 -13.84 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -66.24 -20.43 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -12.36 59.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.68 15.42 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.46 -177.61 18.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -93.43 132.38 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 37' ' ' PHE . 79.8 mt -95.14 138.1 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 16.1 m -109.87 -26.08 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.33 118.68 0.85 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.47 ' HB2' HG21 ' A' ' 43' ' ' ILE . 44.3 t -132.84 130.85 40.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -135.03 142.94 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 30' ' ' LYS . 34.9 t -124.39 116.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' GLY . 70.2 m-70 -112.16 131.76 55.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -38.83 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.54 -43.69 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' HIS . 40.7 p90 -156.62 171.46 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -140.82 168.94 18.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -136.82 131.57 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 20' ' ' ILE . 40.0 t -114.98 138.53 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -123.94 108.46 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 55' ' ' VAL . 51.7 m-85 -86.89 170.26 11.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.39 -36.16 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.01 174.72 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -85.47 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -55.69 -30.19 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -77.39 -36.37 53.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -62.55 -63.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.63 -45.01 27.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -62.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.23 -53.02 62.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.656 ' CG2' HG13 ' A' ' 18' ' ' VAL . 18.1 t -48.43 -24.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.24 -31.19 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -94.56 -74.29 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.706 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -36.93 -68.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t70 -38.6 118.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 26.15 7.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -106.65 136.49 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.2 88.17 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -96.75 119.99 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 74.8 3.72 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.83 -2.97 41.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.53 145.81 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.32 142.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 75' ' ' ILE . 74.7 mt -100.28 124.52 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -94.7 100.72 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -110.68 161.2 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 10.0 t30 -164.36 160.76 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.6 mt -81.25 134.05 35.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.66 76.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.728 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 ttt180 -135.02 147.55 49.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.862 HG13 HG22 ' A' ' 67' ' ' VAL . 43.5 t -136.59 125.25 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -97.55 102.21 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.952 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -87.99 102.29 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.67 176.65 22.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 44.97 55.97 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -120.79 117.68 28.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -68.6 64.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' LEU . 45.1 p -53.25 -19.62 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.24 -15.48 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -128.91 -49.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 23' ' ' LEU . 3.4 t -64.45 147.05 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -177.44 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.29 -44.19 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -23.52 66.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.8 t70 -75.42 -32.63 60.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.763 HG13 ' CE1' ' A' ' 37' ' ' PHE . 92.5 t -94.83 -17.17 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.6 mt-10 -90.28 -25.48 20.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.77 -40.49 11.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -65.46 -33.28 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.763 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -92.17 -12.44 32.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -65.28 -10.9 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -4.41 44.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 15.5 m-85 -111.57 23.45 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 158.67 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -71.79 119.02 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 37' ' ' PHE . 49.5 mt -78.06 130.65 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 56' ' ' GLN . 12.9 m -100.08 -29.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.83 124.73 1.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.45 143.11 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -143.82 141.33 30.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 30' ' ' LYS . 57.5 t -126.57 118.13 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 88.6 m-70 -118.27 128.06 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -39.79 100.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.13 -12.79 6.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 16.8 p90 173.84 -171.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -161.63 168.52 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.27 137.7 36.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.952 HG23 ' CD1' ' A' ' 20' ' ' ILE . 54.6 t -121.95 144.84 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -129.56 108.35 10.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 84.2 m-85 -83.71 170.93 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.57 -31.15 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -136.21 174.07 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -79.43 -57.24 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -39.58 -36.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.834 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 7.9 m120 -67.92 -52.37 37.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.39 -67.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttt-85 -39.72 -33.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.85 -63.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 40' ' ' TYR . . . -59.79 -48.91 79.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 18' ' ' VAL . 76.6 t -44.08 -31.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.31 -75.51 0.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.735 ' HB3' HD12 ' A' ' 82' ' ' ILE . 15.1 mm-40 -40.19 -65.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' GLU . 27.9 t0 -38.64 112.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.93 21.95 7.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -104.66 133.31 49.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.9 100.33 12.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.781 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -115.15 121.72 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.31 -2.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.95 28.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -111.29 157.96 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.96 138.58 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.781 HD21 HG22 ' A' ' 75' ' ' ILE . 72.5 mt -92.37 121.78 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 100.28 12.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -110.75 151.54 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HA ' HG13 ' A' ' 67' ' ' VAL . 2.4 p-10 -164.45 143.78 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.5 mt -61.47 127.58 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.21 72.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -138.92 126.21 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -110.83 138.12 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.39 98.97 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.99 HD11 HG23 ' A' ' 55' ' ' VAL . 2.6 mp -81.96 123.76 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.42 169.15 13.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t30 51.12 32.22 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -79.85 113.87 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.584 ' O ' HG23 ' A' ' 28' ' ' VAL . 48.4 t-20 -74.2 64.2 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.7 p -52.11 -20.41 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.03 -10.32 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -133.92 -46.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' ASN . 1.8 t -74.63 150.09 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.3 tptt -122.85 142.9 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.85 -56.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.2 m -45.89 -44.52 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -60.93 -33.87 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.69 HG13 ' CE1' ' A' ' 37' ' ' PHE . 55.4 t -84.92 -19.84 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.3 mt-10 -90.03 -23.41 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -93.26 -44.0 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -62.16 -32.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.1 m-85 -92.26 -12.48 32.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -66.97 -11.32 56.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.14 -12.17 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.9 m-85 -103.7 25.32 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.01 177.13 15.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -87.61 122.92 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.573 HD11 ' HB2' ' A' ' 37' ' ' PHE . 74.8 mt -85.3 135.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.9 m -106.7 -27.35 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -160.52 121.45 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 55' ' ' VAL . 8.7 t -131.55 135.38 46.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -133.23 148.75 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB1' ' A' ' 53' ' ' ALA . 85.9 t -134.94 122.64 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 62.5 m-70 -118.7 133.78 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -40.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.98 -43.8 1.26 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -149.18 -172.47 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 23' ' ' LEU . . . -159.23 172.63 17.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 19' ' ' PHE . 4.2 m-85 -148.32 139.22 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.99 HG23 HD11 ' A' ' 20' ' ' ILE . 75.1 t -122.84 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -123.89 109.36 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 51.8 m-85 -87.22 169.82 12.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.62 -33.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -136.09 169.26 17.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -77.1 -54.04 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -39.03 -41.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.759 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 75.1 m-20 -70.52 -52.41 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -48.07 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 57.1 ttt-85 -46.29 -38.65 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -47.02 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -52.72 -52.72 55.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 18' ' ' VAL . 37.1 t -47.66 -26.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.44 -31.91 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -90.46 -73.61 1.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HB3' HD12 ' A' ' 82' ' ' ILE . 5.4 mm-40 -38.38 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.6 t70 -38.56 116.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.68 25.06 6.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -106.75 135.35 48.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.13 90.31 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -105.55 120.99 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.03 1.85 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -8.43 45.06 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.15 149.52 37.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.2 143.2 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 75' ' ' ILE . 86.1 mt -97.49 126.74 42.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLY . 7.9 m-20 -95.03 100.36 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -115.44 155.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.476 ' HA ' HG13 ' A' ' 67' ' ' VAL . 12.9 t30 -163.8 163.09 24.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 64' ' ' ARG . 1.6 mt -80.18 135.85 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.45 74.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -140.68 131.66 26.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 HG22 ' A' ' 67' ' ' VAL . 57.9 t -114.58 136.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -105.77 98.71 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.868 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.66 116.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.36 174.37 16.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t30 41.41 43.58 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.05 114.13 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.6 t-20 -70.38 61.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.4 p -51.03 -21.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.6 mt -68.12 -11.28 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -132.69 -48.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -71.49 146.44 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.98 145.58 45.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.598 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.42 -49.4 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -53.43 -44.0 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.4 m-20 -62.38 -25.56 67.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 23' ' ' LEU . 61.0 t -93.92 -19.07 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.0 mt-10 -90.35 -30.54 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -84.74 -42.17 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.7 mt -64.3 -33.28 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.1 m-85 -92.37 -12.79 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.53 -12.82 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -43.74 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 25.5 m-85 -65.23 -10.13 29.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.74 174.04 23.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.02 132.0 35.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.8 mt -95.57 136.92 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 15.6 m -108.44 -26.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.76 117.87 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 34.8 t -128.72 148.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.412 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 4.6 m -146.04 151.04 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 30' ' ' LYS . 83.8 t -134.83 123.69 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 66.4 m-70 -117.84 132.87 56.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.608 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 3.8 mtpt -39.02 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 129.13 -44.92 1.18 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.6 p90 -145.36 -169.78 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -164.54 173.73 11.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CA ' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -143.43 153.52 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.868 HG23 HD11 ' A' ' 20' ' ' ILE . 55.5 t -138.74 134.66 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -116.77 106.72 13.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.614 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 48.6 m-85 -82.88 170.52 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.429 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 3.3 t -63.96 -32.15 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 58' ' ' VAL . 9.9 m120 -143.03 168.27 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.8 -51.27 35.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -43.74 -41.65 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.601 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.7 m120 -68.91 -41.82 77.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.09 -64.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttm180 -43.18 -39.93 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -46.39 -65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.0 -50.05 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.874 HG22 HG13 ' A' ' 18' ' ' VAL . 77.0 t -44.5 -32.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -36.4 12.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.23 -74.88 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.856 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.0 t70 -38.01 115.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.65 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.2 ttt180 -109.07 140.55 42.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.57 92.17 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.855 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -106.21 117.62 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.8 -2.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.11 4.02 35.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -125.73 151.64 46.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.65 147.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 75' ' ' ILE . 77.0 mt -103.92 125.61 50.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -96.4 100.29 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.856 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -116.39 155.57 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.0 t30 -161.19 160.65 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -77.49 135.44 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 77.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 36.7 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.4 ttm-85 -144.73 129.43 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -114.15 128.53 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -97.32 98.9 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.972 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mt -85.29 116.35 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.51 12.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 50.55 42.83 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG21 ' A' ' 33' ' ' VAL . 1.1 tt -92.81 114.02 26.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' VAL . 56.9 t-20 -68.49 67.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.7 p -57.77 -16.89 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.7 mt -67.99 -12.58 61.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.02 -50.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.1 t -62.45 146.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.27 147.94 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -44.11 -49.14 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -33.33 65.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 t70 -69.28 -35.09 75.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.938 HG21 HD11 ' A' ' 23' ' ' LEU . 43.9 t -88.38 -17.52 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' SER . 7.2 mt-10 -90.63 -36.28 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.87 -46.5 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 32' ' ' ASP . 85.1 mt -60.25 -31.02 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.41 -41.21 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.2 m -45.23 -25.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -73.82 -43.73 57.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' PHE . 7.0 m-85 -65.61 -10.01 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.19 164.0 13.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -72.25 128.11 34.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 mt -94.84 139.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 17.1 m -110.53 -24.26 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.27 119.04 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 12.8 t -132.07 136.34 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.9 m -135.48 145.27 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 ' CB ' ' A' ' 53' ' ' ALA . 77.3 t -129.56 120.11 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.7 m-70 -118.4 131.2 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 8.1 tttp -40.5 97.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.53 -37.89 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' HIS . 29.0 p90 -162.33 167.08 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -139.81 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.4 m-85 -144.46 129.26 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.972 HG23 HD11 ' A' ' 20' ' ' ILE . 89.1 t -114.12 146.35 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.66 111.68 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 57.5 m-85 -88.88 163.07 15.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.47 -37.41 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -131.69 168.43 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -73.21 -53.25 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.3 ttp180 -37.38 -46.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.749 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 27.5 m120 -59.97 -51.74 68.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -49.19 -60.25 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -48.16 -34.68 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.81 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.49 -50.96 70.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.946 HG22 HG13 ' A' ' 18' ' ' VAL . 71.2 t -43.92 -30.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.85 -34.73 13.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -81.01 -73.7 1.17 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.818 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.6 mm-40 -39.73 -70.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.3 t70 -36.23 112.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.86 22.95 7.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -105.52 134.95 47.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.29 88.59 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -99.01 122.77 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.53 5.71 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.95 55.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.452 HE22 ' ND2' ' A' ' 24' ' ' ASN . 1.2 mt-30 -121.12 142.62 49.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.32 146.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 75' ' ' ILE . 81.0 mt -104.24 122.43 45.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.15 100.26 13.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.818 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.8 mt -116.79 154.01 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.0 t30 -159.34 157.36 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -75.89 132.49 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -63.3 81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 51.6 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -145.51 141.57 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 HG22 ' A' ' 67' ' ' VAL . 49.9 t -129.4 131.21 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -102.64 100.79 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.643 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -86.57 107.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.06 176.91 22.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 79' ' ' VAL . 13.4 t30 42.59 38.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.44 114.3 25.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 6.3 t-20 -62.73 79.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 23' ' ' LEU . 68.9 p -73.03 2.37 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.4 mt -90.1 -16.28 29.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 28' ' ' VAL . 4.1 m -126.68 -50.85 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -66.86 150.15 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -177.58 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.5 -47.69 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -25.51 63.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.5 m-20 -72.09 -30.52 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.846 HG21 HD11 ' A' ' 23' ' ' LEU . 41.2 t -94.8 -19.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -90.1 -21.34 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.15 -47.71 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -60.04 -30.76 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.8 m-85 -92.5 -15.3 27.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 -21.13 66.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -84.42 -4.89 59.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 66' ' ' ALA . 8.0 m-85 -109.51 15.46 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.39 -173.52 21.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -99.6 116.39 31.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.8 mt -78.62 131.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' GLN . 14.9 m -107.73 -30.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.04 115.12 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.89 146.82 52.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 3.8 p -148.35 151.58 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' HD2' ' A' ' 30' ' ' LYS . 77.1 t -130.1 114.37 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.4 m-70 -114.71 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.598 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -39.46 101.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.7 -30.71 3.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' HIS . 13.5 p90 -168.04 -171.6 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -156.54 161.37 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 7.7 m-85 -130.93 139.43 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.643 HG23 ' CD1' ' A' ' 20' ' ' ILE . 39.3 t -126.01 148.22 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -134.72 107.89 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 50.6 m-85 -83.95 170.7 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.28 -26.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -146.82 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ARG . 6.4 tt0 -58.54 -53.25 60.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' GLU . 4.2 mtt180 -38.71 -44.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 67.4 m-20 -63.6 -53.23 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -51.97 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' ALA . 11.2 ttt180 -38.71 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.19 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -58.03 -52.76 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 HG13 ' A' ' 18' ' ' VAL . 71.3 t -43.66 -29.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.84 -35.75 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -82.86 -74.36 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.872 ' HB3' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -38.43 -63.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t0 -39.94 106.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.35 -8.65 13.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.07 134.25 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.39 101.13 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.903 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -109.67 124.98 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.11 6.09 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.38 17.38 36.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.575 1.172 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.49 147.66 52.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 77.3 t -80.71 130.89 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.903 HD21 HG22 ' A' ' 75' ' ' ILE . 63.4 mt -92.0 123.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.88 100.29 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -113.96 150.04 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -163.98 142.86 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.867 ' HG ' HG21 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -60.93 129.08 39.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.33 77.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.852 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -144.2 141.42 29.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 67' ' ' VAL . 45.4 t -128.57 130.87 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -104.16 99.28 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.91 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.92 121.51 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -116.76 174.21 15.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.7 t30 39.46 50.99 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.81 116.39 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.5 t-20 -64.3 77.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 27.4 p -71.23 2.01 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.73 -15.92 31.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.8 -50.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ASN . 4.5 t -64.33 149.55 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 5.0 tptt -117.21 143.42 45.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -41.37 -55.77 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.2 m -46.16 -37.85 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.1 m-20 -65.59 -35.48 80.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 23' ' ' LEU . 41.3 t -85.6 -19.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.9 mt-10 -90.04 -24.92 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -90.03 -47.18 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 32' ' ' ASP . 65.1 mt -59.83 -30.77 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.39 -14.34 28.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -67.59 -11.09 57.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.75 -27.29 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 35.5 m-85 -90.86 20.6 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.43 177.95 15.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -89.24 133.87 34.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 37' ' ' PHE . 83.8 mt -91.85 137.83 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -110.07 -26.4 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.34 116.71 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.5 t -125.55 149.37 48.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.04 145.22 29.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 30' ' ' LYS . 41.5 t -128.81 124.37 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' HG21 ' A' ' 25' ' ' THR . 31.9 m-70 -118.05 150.69 38.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -62.02 81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 145.08 -22.95 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -170.12 -171.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -159.06 166.63 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.1 135.04 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.91 HG23 ' CD1' ' A' ' 20' ' ' ILE . 72.5 t -120.6 141.26 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -125.79 108.9 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 83.1 m-85 -85.41 169.63 13.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.99 -33.35 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -135.84 160.36 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' ALA . 44.5 tt0 -70.13 -50.64 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.5 ttt85 -37.6 -47.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.4 m120 -68.03 -47.31 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -49.39 -65.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 84' ' ' LEU . 47.6 ttt85 -46.47 -36.73 6.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.71 -60.63 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.524 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.53 -51.0 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.764 ' CG2' HG13 ' A' ' 18' ' ' VAL . 3.3 t -52.88 -22.74 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.88 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.79 -73.44 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -39.47 -66.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 32.9 t70 -39.57 104.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.85 18.47 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -98.81 135.18 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.24 93.7 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.72 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -101.94 119.42 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.34 4.35 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.93 7.26 50.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.79 147.71 50.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.25 154.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.72 HD21 HG22 ' A' ' 75' ' ' ILE . 95.0 mt -111.67 127.38 55.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLY . 38.8 t70 -92.97 100.01 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -115.58 154.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 p-10 -164.75 140.01 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 17' ' ' ARG . 2.6 mt -61.91 127.03 29.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.74 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.635 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt85 -142.06 133.13 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 67' ' ' VAL . 61.8 t -121.5 125.22 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -95.87 100.24 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.726 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -85.96 101.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.41 179.63 30.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 40.56 34.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -90.21 114.1 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.694 HD22 HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -64.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.9 p -75.1 2.55 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -88.41 -8.23 55.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.694 HG22 HD22 ' A' ' 24' ' ' ASN . 4.4 m -137.25 -49.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.4 t -67.49 150.43 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 179.81 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.26 -45.86 53.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.5 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.643 ' O ' HD12 ' A' ' 36' ' ' ILE . 64.9 m-20 -81.5 -29.8 33.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 23' ' ' LEU . 93.7 t -94.65 -13.99 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -90.39 -39.34 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.91 -33.69 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 32' ' ' ASP . 77.7 mt -71.63 -34.06 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.53 -12.29 32.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -67.03 -9.15 36.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 2.9 ptmt -96.73 -0.12 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 19.6 m-85 -117.03 20.05 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.54 171.02 13.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -82.65 130.39 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 46' ' ' CYS . 68.6 mt -91.34 133.34 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 8.9 m -109.85 -29.65 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -147.89 119.32 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 43' ' ' ILE . 19.4 p -132.25 144.81 50.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 1.6 p -149.17 138.35 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 30' ' ' LYS . 72.5 t -122.37 112.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 17.9 m-70 -111.48 129.63 55.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -39.91 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.19 -33.77 2.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -163.39 -172.83 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -154.51 157.42 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -128.17 122.69 32.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.5 t -109.34 149.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -135.54 109.17 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 48.3 m-85 -85.98 170.92 11.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.9 -28.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -139.77 159.72 41.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.6 tt0 -70.5 -51.99 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -47.24 -40.73 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 34.8 m-20 -71.07 -30.39 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -70.9 -65.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 84' ' ' LEU . 7.4 ttm180 -40.47 -33.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.74 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.1 -40.93 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 18' ' ' VAL . 79.2 t -54.75 -29.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.81 -34.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.7 -74.16 1.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.691 ' HB3' HD12 ' A' ' 82' ' ' ILE . 12.1 mm-40 -39.83 -65.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' GLU . 16.7 t70 -38.59 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.41 24.12 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -104.0 134.07 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.55 93.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.777 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -108.88 121.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.2 0.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.46 -6.75 39.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.4 mt-30 -116.71 154.41 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.56 151.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.777 HD21 HG22 ' A' ' 75' ' ' ILE . 72.0 mt -107.03 127.01 53.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.93 100.7 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.6 mt -113.67 153.65 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -164.44 144.0 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.722 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -61.89 129.41 40.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 11.9 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 ttm105 -142.64 128.21 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.641 HG13 HG22 ' A' ' 67' ' ' VAL . 57.1 t -113.75 134.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.96 100.05 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -84.47 121.51 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.36 171.47 14.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.77 51.48 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.59 114.16 28.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.77 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.83 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 p -74.77 2.96 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.35 -7.88 55.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 24' ' ' ASN . 4.3 m -138.37 -50.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.2 t -67.77 150.77 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.16 -177.33 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.76 -45.32 37.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -57.4 -29.49 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' HG13 ' A' ' 28' ' ' VAL . 3.5 t70 -70.55 -30.59 67.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.1 t -91.1 -19.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 7.0 mt-10 -89.63 -27.1 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.98 -48.23 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -58.78 -31.25 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.93 -16.16 25.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -63.31 -12.37 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.65 0.25 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.33 20.05 13.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.15 170.81 13.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -82.03 132.17 35.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.2 mt -93.02 132.13 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 9.5 m -104.87 -25.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -153.25 126.73 2.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 11.6 p -132.74 147.37 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 1.7 p -149.42 137.72 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 30' ' ' LYS . 73.0 t -130.49 108.95 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' PHE . 28.3 m-70 -111.11 129.19 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.49 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.07 -26.14 5.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 52.9 p90 -168.78 -167.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 47' ' ' SER . . . -167.33 173.24 9.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CA ' HD12 ' A' ' 20' ' ' ILE . 6.8 m-85 -147.87 148.8 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 20' ' ' ILE . 6.9 t -129.86 153.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -136.49 104.08 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 70.5 m-85 -81.33 170.61 15.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.19 -31.63 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -133.34 174.39 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -83.23 -48.82 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -47.97 -35.05 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 39.9 m-20 -72.92 -46.11 54.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -56.29 -63.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -42.93 -38.86 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.86 -63.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.36 -50.09 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 18' ' ' VAL . 24.5 t -50.92 -23.96 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -31.9 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -92.84 -74.32 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.8 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -37.42 -67.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.6 t70 -39.22 112.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.94 23.9 6.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -102.21 138.02 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.97 89.58 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.899 HG22 HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -98.27 119.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.06 0.45 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.52 1.02 37.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -119.61 145.36 46.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.8 151.46 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.899 HD21 HG22 ' A' ' 75' ' ' ILE . 81.8 mt -108.62 123.24 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.7 t70 -92.21 99.56 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -115.07 156.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 5.0 t30 -163.64 160.84 23.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -78.56 135.87 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.39 76.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 4.4 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -143.23 130.55 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.674 HG13 HG22 ' A' ' 67' ' ' VAL . 48.3 t -115.51 129.7 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -101.06 99.7 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.55 120.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.57 174.75 15.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.9 t30 38.85 47.92 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -104.92 114.25 28.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.786 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.82 79.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.9 p -74.55 2.84 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.9 mt -88.37 -7.26 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.786 HG22 HD22 ' A' ' 24' ' ' ASN . 3.8 m -137.29 -49.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.9 t -70.35 140.68 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -177.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.28 -40.19 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -19.54 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.677 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 m-20 -82.02 -30.89 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 23' ' ' LEU . 46.6 t -93.92 -12.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 38' ' ' SER . 8.3 mt-10 -89.72 -45.33 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -21.71 58.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 32' ' ' ASP . 37.3 mt -81.08 -36.45 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.673 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.2 m-85 -93.0 -22.48 19.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -65.56 -16.35 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -10.65 54.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -101.86 -0.6 33.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.01 159.18 8.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.12 131.67 48.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.01 133.74 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.5 m -109.77 -24.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -146.99 121.26 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 12.1 p -131.68 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -149.16 142.67 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.62 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.4 t -131.9 115.55 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 70.4 m-70 -115.94 125.55 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 12.1 mttp -39.9 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.25 -11.79 6.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 18.9 p90 174.73 -176.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -156.03 173.28 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.4 m-85 -149.9 139.39 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.758 HG23 HD11 ' A' ' 20' ' ' ILE . 93.9 t -127.47 144.72 36.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -125.97 112.16 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 85.8 m-85 -88.7 170.27 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.55 -30.97 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -143.42 149.13 37.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.9 tt0 -57.9 -48.32 80.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.3 mtm180 -37.71 -47.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.1 m-20 -68.58 -46.76 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.88 -63.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 84' ' ' LEU . 64.1 ttt180 -43.66 -40.19 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.18 -62.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -54.36 -52.47 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.674 HG22 HG13 ' A' ' 18' ' ' VAL . 22.2 t -49.16 -24.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.18 -31.7 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.43 -73.3 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.683 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -36.84 -72.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -38.63 122.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.41 27.14 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.512 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.6 ttt180 -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.73 90.4 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -101.97 117.07 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.49 -3.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.27 6.15 29.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -129.13 150.73 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.36 154.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 68.6 mt -109.99 125.44 52.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' GLY . 35.7 t70 -94.88 99.64 11.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -118.23 156.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -164.99 161.03 19.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 17' ' ' ARG . 3.6 mt -77.91 128.86 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.4 73.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.801 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.63 142.93 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 47.2 t -130.55 124.43 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -97.62 99.71 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -83.57 103.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -99.3 178.39 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.9 t30 39.49 37.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.84 116.03 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t-20 -62.79 78.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 23' ' ' LEU . 29.2 p -72.68 1.86 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -89.45 -16.37 30.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 28' ' ' VAL . 3.8 m -126.26 -48.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 27' ' ' VAL . 3.1 t -71.28 150.65 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -121.88 143.39 49.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.16 -38.31 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 4.4 t -57.2 -49.25 76.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.662 ' O ' HD12 ' A' ' 36' ' ' ILE . 14.0 m-20 -61.05 -28.46 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 23' ' ' LEU . 95.6 t -88.64 -15.46 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' SER . 5.3 mt-10 -90.0 -44.8 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 32' ' ' ASP . 71.9 mt -80.44 -35.62 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.628 ' HB2' HD11 ' A' ' 43' ' ' ILE . 4.0 m-85 -92.12 -12.58 32.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -64.32 -15.72 60.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -28.58 22.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 70' ' ' GLU . 25.1 m-85 -84.27 10.74 9.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.34 166.42 11.38 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -76.39 126.93 31.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 37' ' ' PHE . 76.3 mt -90.92 130.58 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.8 m -106.19 -25.66 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.74 122.41 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.2 p -130.88 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -149.36 139.98 22.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 30' ' ' LYS . 86.4 t -126.4 112.83 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 83.1 m-70 -113.86 127.22 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 4.1 mttt -39.63 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.18 -17.46 7.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 34.7 p90 179.27 -167.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.34 158.77 30.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -124.79 129.42 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 20' ' ' ILE . 25.6 t -118.45 141.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 3.4 tp60 -126.69 116.05 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 47.4 m-85 -91.13 170.79 9.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.61 -30.86 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 170.68 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -74.19 -53.57 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.86 -38.02 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.92 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -75.85 -65.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 84' ' ' LEU . 43.0 ttt180 -38.8 -39.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.3 -63.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.58 -51.62 68.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 71.7 t -44.37 -30.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -33.45 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -85.97 -74.9 1.26 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 26.1 mm-40 -39.66 -62.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.4 t70 -38.98 110.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.21 22.1 7.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -98.7 136.1 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.79 95.0 9.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.823 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -106.39 122.94 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.04 1.9 3.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.39 4.25 46.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 150.58 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.9 153.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.823 HD21 HG22 ' A' ' 75' ' ' ILE . 84.9 mt -112.79 126.65 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 100.42 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 70' ' ' GLU . 4.4 mt -113.47 153.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -164.6 141.56 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.845 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.3 mt -61.72 125.24 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.04 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 60' ' ' GLU . 2.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -150.68 138.31 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.779 HG13 HG22 ' A' ' 67' ' ' VAL . 47.4 t -121.9 120.42 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -93.16 105.13 17.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -89.89 113.1 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -110.13 179.85 20.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLY . 35.3 t30 39.82 34.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -83.7 113.99 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' VAL . 42.7 t-20 -69.41 61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.9 p -50.4 -23.62 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.01 -14.09 51.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.02 -46.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -74.5 149.89 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 3.2 tptt -121.81 155.13 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 tttt -49.07 -57.32 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -49.94 -37.0 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.62 -35.57 80.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.784 HG21 HD11 ' A' ' 23' ' ' LEU . 56.7 t -85.14 -19.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LYS . 14.3 mt-10 -90.32 -30.03 17.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -81.96 -47.97 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CG2' ' OE2' ' A' ' 70' ' ' GLU . 64.2 mt -60.16 -32.58 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.71 -12.22 32.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -68.21 -16.61 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.63 -12.74 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.683 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 16.9 m-85 -102.36 25.07 9.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.58 175.24 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 127.05 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 46' ' ' CYS . 85.7 mt -88.22 136.75 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.1 m -109.73 -27.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.45 117.94 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' ILE . 16.7 t -133.09 145.72 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.447 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 12.7 m -147.51 150.72 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 53' ' ' ALA . 48.7 t -135.81 118.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLY . 59.0 m-70 -116.78 133.0 56.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 7.4 tttt -40.01 98.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.52 -38.55 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -157.59 -172.2 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -158.31 170.83 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.48 144.79 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 57' ' ' TYR . 7.8 t -130.87 143.02 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.9 106.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 53.9 m-85 -82.64 165.85 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.84 -39.98 42.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -136.65 166.96 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 16' ' ' SER . 9.9 tt0 -66.84 -43.72 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 62' ' ' ASN . 20.0 ptt180 -52.13 -40.35 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 6.7 m-20 -71.04 -25.07 62.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -82.08 -44.41 16.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.25 -26.59 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -61.5 -38.71 88.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.843 HG21 ' HG ' ' A' ' 84' ' ' LEU . 4.8 t -63.12 -19.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.27 -22.03 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -104.95 -74.82 0.98 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 38.2 mm-40 -35.87 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -35.83 104.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.79 8.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -92.93 132.21 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.731 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.59 87.53 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 28.1 mt -107.01 120.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 82.54 1.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.16 -7.59 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.27 141.89 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.48 110.19 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.619 HD22 ' HA ' ' A' ' 23' ' ' LEU . 19.0 mt -67.16 126.63 29.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 99.91 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.504 ' HB ' ' CG ' ' A' ' 71' ' ' ASP . 8.9 mt -117.51 153.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -166.57 144.02 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.843 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -61.95 126.64 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.03 83.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.574 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 33.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -141.17 131.7 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 67' ' ' VAL . 58.8 t -116.11 132.26 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.53 102.1 12.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.763 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -88.09 121.01 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.71 175.74 15.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.7 t30 45.2 35.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 0.724 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -87.51 113.69 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.743 ' ND2' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.9 78.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 23' ' ' LEU . 36.7 p -73.27 2.55 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.18 -8.7 50.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.743 HG22 ' ND2' ' A' ' 24' ' ' ASN . 3.9 m -138.5 -50.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.3 t -64.09 150.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.7 tptt -115.37 148.54 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -45.28 -56.83 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -27.06 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.7 t0 -71.46 -30.27 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 23' ' ' LEU . 44.7 t -93.22 -18.42 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.59 -24.16 20.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.9 -44.8 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.2 mt -61.41 -32.37 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.743 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.7 m-85 -92.61 -13.38 29.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.89 -23.29 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -5.17 54.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -112.59 23.38 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.9 166.63 12.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -81.74 117.76 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.557 HD11 ' HB2' ' A' ' 37' ' ' PHE . 46.8 mt -79.4 128.22 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.2 m -96.83 -27.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.18 124.12 1.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.457 ' HB2' HG21 ' A' ' 43' ' ' ILE . 33.0 t -132.7 141.47 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -135.39 147.58 49.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.935 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG22 ' HB1' ' A' ' 53' ' ' ALA . 84.3 t -133.43 119.03 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.3 m-70 -118.61 131.93 56.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -41.2 97.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.79 -34.74 2.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 17.3 p90 -160.19 -171.35 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.531 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -163.77 170.5 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.64 153.36 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.763 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.3 t -136.26 136.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -120.24 108.51 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 55' ' ' VAL . 77.4 m-85 -87.25 159.18 18.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.71 -31.49 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -133.55 159.45 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.08 -52.23 37.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -42.71 -39.45 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 69.4 m-20 -63.86 -44.09 94.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.574 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -55.56 -64.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -45.75 -42.42 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -45.76 -64.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -55.4 -51.66 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.677 ' CG2' HG13 ' A' ' 18' ' ' VAL . 24.2 t -48.88 -24.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.03 -32.42 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.78 -74.38 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.7 mm-40 -36.88 -67.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.738 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' GLU . 6.5 t70 -39.39 120.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.68 25.89 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -107.37 135.34 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.37 90.63 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -104.0 118.27 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.62 -2.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.45 -9.72 28.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.2 mt-30 -113.96 155.71 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.6 146.82 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 75' ' ' ILE . 92.2 mt -100.48 125.82 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.83 100.49 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.3 mt -109.4 161.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 7.3 t30 -164.63 160.5 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -80.16 136.34 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -65.54 75.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.8 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.816 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.5 ttt180 -137.95 147.25 44.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 67' ' ' VAL . 48.9 t -133.44 134.51 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -106.42 98.7 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.858 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.34 113.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -112.3 174.02 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.4 t30 39.81 51.55 2.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.741 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.12 116.94 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.484 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.9 t-20 -62.32 79.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 23' ' ' LEU . 79.9 p -72.82 2.76 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.72 -15.23 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -127.32 -51.62 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -65.43 149.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' ASP . 4.0 tptt -120.29 153.02 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -46.07 -56.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -46.82 -43.45 18.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 m-20 -61.88 -31.35 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 42.7 t -87.76 -19.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.5 mt-10 -90.24 -25.2 20.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -87.82 -40.47 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 89.4 mt -67.45 -32.91 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -91.97 -12.66 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -67.48 -10.27 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -95.31 -6.93 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 13.0 m-85 -108.33 23.46 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.49 171.04 13.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -81.95 122.28 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 37' ' ' PHE . 50.9 mt -83.05 130.2 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -103.08 -24.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.48 121.98 1.07 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 55' ' ' VAL . 25.5 t -130.17 141.55 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -140.47 149.56 42.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG23 ' HD2' ' A' ' 30' ' ' LYS . 49.7 t -131.14 107.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 18.4 m-70 -105.93 126.63 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -38.56 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.7 7.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 49' ' ' HIS . 8.5 p90 -172.47 -171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -153.25 169.33 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 17.6 m-85 -143.66 130.09 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 20' ' ' ILE . 75.5 t -118.93 148.63 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -132.28 111.2 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 68.7 m-85 -88.07 169.2 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.14 -38.22 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 175.47 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -53.71 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -41.41 -31.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.831 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.4 m120 -77.89 -51.03 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.15 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 84' ' ' LEU . 18.5 ttm180 -38.19 -34.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.95 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.76 -49.88 73.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 18' ' ' VAL . 78.1 t -47.07 -30.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.5 -34.6 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -82.84 -74.67 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.765 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -39.98 -67.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.4 t70 -36.93 112.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.98 24.24 6.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -106.63 136.83 45.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 78' ' ' GLN . 0.4 OUTLIER -90.08 93.37 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -102.71 117.93 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.76 -0.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.06 -9.78 29.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' MET . 3.1 pt20 -108.14 152.5 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.96 147.03 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 55.2 mt -104.48 118.07 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 100.16 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -111.67 153.4 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.1 p-10 -161.2 141.1 10.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.1 mt -61.85 127.27 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' A' ' 57' ' ' TYR . 12.9 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.652 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt180 -147.68 135.76 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.836 HG13 HG22 ' A' ' 67' ' ' VAL . 93.7 t -128.0 124.33 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 82' ' ' ILE . 5.4 t80 -95.38 115.44 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.834 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp -95.93 101.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -95.47 176.38 33.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' GLY . 15.1 t30 39.5 48.17 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.16 113.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.78 HD22 HG22 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -64.39 80.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.6 p -73.39 2.74 7.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.97 -7.82 56.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 24' ' ' ASN . 4.2 m -140.1 -50.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.652 HG13 ' OD2' ' A' ' 32' ' ' ASP . 3.2 t -65.69 150.47 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 -177.75 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.08 -21.09 51.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -82.9 -9.92 59.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.652 ' OD2' HG13 ' A' ' 28' ' ' VAL . 1.1 t70 -84.76 -34.06 22.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 23' ' ' LEU . 38.8 t -94.47 -14.1 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 25.5 mt-10 -90.71 -31.33 16.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.92 -55.77 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 32' ' ' ASP . 84.1 mt -50.29 -29.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.887 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.4 m-85 -92.36 -26.82 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -53.24 -32.63 49.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.42 -32.11 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 69' ' ' GLY . 11.3 m-85 -84.05 10.73 9.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.43 169.71 11.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.36 127.74 33.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 37' ' ' PHE . 80.6 mt -90.06 136.43 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 19.3 m -106.85 -26.8 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.7 121.39 1.04 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 29.5 t -133.11 135.43 45.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.9 m -133.4 152.28 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG22 ' HB1' ' A' ' 53' ' ' ALA . 86.4 t -133.79 121.0 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 93.0 m-70 -115.59 134.01 55.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.554 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -40.16 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.62 -41.17 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 10.3 p90 -152.66 -169.16 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -160.43 177.87 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -143.42 152.29 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 57' ' ' TYR . 43.5 t -136.29 131.63 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -118.27 110.76 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 55' ' ' VAL . 41.4 m-85 -87.67 170.14 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.87 -24.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -143.53 164.62 29.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ALA . 5.2 tm-20 -71.99 -49.72 34.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -46.06 -39.01 8.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.9 m120 -70.11 -36.13 74.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB1' HG23 ' A' ' 18' ' ' VAL . . . -60.41 -64.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 34.1 ttm180 -47.55 -44.92 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -40.6 -59.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.44 -51.75 67.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.836 HG22 HG13 ' A' ' 18' ' ' VAL . 78.4 t -43.42 -30.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.9 -34.17 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -82.98 -74.96 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 1.5 mm-40 -42.87 -62.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.624 ' N ' HD12 ' A' ' 82' ' ' ILE . 29.8 t70 -39.87 117.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.66 21.26 9.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HE ' HD12 ' A' ' 75' ' ' ILE . 3.4 ttt85 -98.97 137.09 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 95.97 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -108.44 120.8 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.79 7.7 2.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.18 -7.07 58.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.435 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -114.75 153.71 29.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.79 152.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD21 ' CG2' ' A' ' 75' ' ' ILE . 99.0 mt -106.02 129.26 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.75 100.73 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 71' ' ' ASP . 5.6 mt -110.6 156.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -164.73 140.14 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.816 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.12 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 78.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -58.64 124.83 21.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -118.07 127.82 54.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.17 155.95 21.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t 62.87 82.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.35 168.43 9.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.96 77.37 0.14 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.02 -173.14 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.5 p -129.25 91.31 3.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -129.2 143.79 50.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.59 2.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -129.9 -57.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.43 75.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 ptp -163.23 166.88 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.81 -46.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -87.61 97.41 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.4 ttt85 -141.26 150.21 42.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 56.2 t -139.58 121.11 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.72 99.15 11.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.03 107.75 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.07 174.53 22.39 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t30 46.02 40.72 7.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.41 114.04 26.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.51 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.4 t-20 -69.59 65.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.9 p -55.72 -18.11 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.21 -13.58 62.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.97 -48.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -70.13 143.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -179.28 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.31 -43.47 56.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -63.03 -23.39 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -76.08 -32.2 59.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.747 HG13 ' CE1' ' A' ' 37' ' ' PHE . 91.9 t -94.51 -16.3 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.7 mt-10 -90.44 -28.4 18.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.4 -45.02 9.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.9 mt -60.76 -31.07 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.747 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.1 m-85 -92.35 -12.88 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -67.94 -10.08 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -93.41 -12.52 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 14.4 m-85 -106.27 19.75 20.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.33 155.64 9.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.64 134.03 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -94.71 127.35 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.7 m -99.76 -32.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.61 116.72 0.79 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.687 ' SG ' HG22 ' A' ' 55' ' ' VAL . 52.4 t -132.86 138.57 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -144.15 147.86 34.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 53' ' ' ALA . 26.5 t -131.44 121.12 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' GLY . 67.1 m-70 -118.68 132.9 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.2 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.93 -34.72 2.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -163.35 -172.0 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -159.39 161.2 35.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -131.09 136.54 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.7 t -122.37 142.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -130.33 109.17 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 60.6 m-85 -85.31 170.99 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.66 -33.45 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.45 157.04 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -53.64 49.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -39.02 -44.26 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.794 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 15.1 m120 -64.17 -55.42 21.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.27 -62.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 84' ' ' LEU . 6.4 ttm-85 -45.57 -29.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -60.95 -61.25 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -57.07 -52.34 65.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 72.7 t -44.09 -30.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.74 -34.48 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -84.24 -74.39 1.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.789 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -38.47 -66.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 t70 -39.69 112.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.85 22.42 6.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -103.34 136.54 42.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.25 92.47 9.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.675 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -101.89 120.8 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.21 1.78 3.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.78 -0.03 39.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 150.04 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.11 153.57 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD21 HG22 ' A' ' 75' ' ' ILE . 88.4 mt -111.03 128.9 56.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 100.88 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.9 mt -115.55 153.81 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -164.78 144.0 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.872 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.16 128.03 34.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.31 76.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.83 -53.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -112.66 101.78 53.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.75 19.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.09 130.75 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 52.81 98.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -59.07 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.36 138.2 58.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.96 164.61 10.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.0 p -79.28 109.87 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -158.04 152.44 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m 55.87 80.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -135.69 92.91 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.06 148.57 4.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t 57.38 83.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.957 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 124.02 19.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.06 88.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.79 114.71 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -144.02 141.24 30.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -136.68 141.42 35.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.9 6.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 177.21 158.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.28 144.21 27.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.2 82.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -143.83 78.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 9.4 p -141.44 97.54 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 4.0 ttt180 -139.44 133.34 30.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 67' ' ' VAL . 57.6 t -119.95 134.17 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -103.8 98.95 8.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.58 ' HA ' HG23 ' A' ' 82' ' ' ILE . 2.6 mp -84.21 115.01 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -110.74 176.81 19.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 40.67 41.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 0.785 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -93.47 114.27 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 28' ' ' VAL . 45.8 t-20 -68.8 66.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.4 p -58.74 -15.73 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.86 -12.1 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.92 -51.13 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.5 t -69.47 138.42 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.85 -178.31 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.665 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.93 -36.89 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -25.37 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.673 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 m-20 -77.6 -34.28 53.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 23' ' ' LEU . 90.1 t -90.51 -12.78 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' CG ' ' SG ' ' A' ' 46' ' ' CYS . 9.1 mt-10 -90.65 -39.4 12.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -49.01 13.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.8 mt -56.04 -32.49 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.712 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -93.43 -14.58 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -65.38 -10.96 37.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.06 -30.48 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.4 m-85 -82.09 2.74 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.45 160.06 8.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -71.38 133.86 46.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.794 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 37' ' ' PHE . 65.1 mt -93.75 135.05 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 56' ' ' GLN . 10.2 m -105.73 -28.42 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.16 120.2 0.95 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 43' ' ' ILE . 20.5 p -132.97 152.71 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.33 148.46 29.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.665 HG23 ' HD2' ' A' ' 30' ' ' LYS . 78.0 t -130.41 120.36 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.7 m-70 -118.81 130.43 55.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.07 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.21 -37.74 2.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.9 p90 -155.18 -170.67 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -160.99 167.58 26.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.7 m-85 -137.32 151.49 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG23 ' CD1' ' A' ' 20' ' ' ILE . 13.1 t -138.68 138.38 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.2 tp60 -124.5 102.96 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 62' ' ' ASN . 70.7 m-85 -78.06 170.87 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.32 -23.19 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.67 144.01 24.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 tt0 -52.14 -47.61 65.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -39.18 -46.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.733 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 76.7 m-20 -67.15 -45.93 75.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -50.11 -65.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -46.88 -37.02 8.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -51.6 -61.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.471 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -59.71 -53.42 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.793 ' CG2' HG13 ' A' ' 18' ' ' VAL . 5.2 t -46.64 -26.86 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.93 -32.74 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -89.67 -74.01 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.805 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.8 mm-40 -37.24 -67.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 5.1 t70 -39.88 113.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.8 22.82 6.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -103.89 137.04 42.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.73 92.43 9.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.714 HG21 HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -103.34 119.01 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.12 5.67 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.2 -2.97 51.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.422 HE22 ' ND2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -117.86 150.85 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.05 150.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 75' ' ' ILE . 84.9 mt -106.11 128.7 54.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -97.54 100.53 11.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.805 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -114.58 155.4 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 11.9 t30 -158.56 162.95 37.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' N ' ' CG ' ' A' ' 83' ' ' ASN . 1.6 mt -80.03 136.43 36.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.13 73.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.04 -49.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -118.56 98.78 51.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.83 17.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 57.96 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -87.96 151.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -100.96 97.65 8.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 -54.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.16 -58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.72 131.22 1.63 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 131.81 14.68 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 m -58.04 169.63 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.2 t -96.57 -58.74 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.132 . . . . 0.0 111.024 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -109.87 137.7 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t 61.0 165.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -70.72 -60.92 4.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t 67.13 -71.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.052 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -48.08 128.18 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.98 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.83 -166.62 12.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.88 127.59 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 m 60.38 117.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.13 146.3 31.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 57.01 4.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.554 1.818 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.12 100.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.18 131.39 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.95 82.8 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -137.97 77.05 1.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 24.1 p -132.24 101.13 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -147.69 128.45 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.863 HG13 HG22 ' A' ' 67' ' ' VAL . 59.3 t -113.63 133.25 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -102.29 98.76 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.593 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -83.78 115.64 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -117.82 157.2 15.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 t30 62.8 36.14 13.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -88.06 114.44 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 34.1 t-20 -70.26 64.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.2 p -54.08 -19.08 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.84 -12.29 53.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.89 -47.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.1 t -72.75 137.49 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -177.44 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.43 -45.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -21.69 64.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.79 -30.05 51.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 59.7 t -94.57 -15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.6 mt-10 -90.19 -37.88 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.69 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG23 ' NH1' ' A' ' 73' ' ' ARG . 80.4 mt -58.02 -32.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 4.6 m-85 -93.17 -13.49 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -65.65 -11.28 43.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -96.34 -4.97 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 10.2 m-85 -110.33 16.11 21.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.86 160.69 10.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -73.02 130.86 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.4 mt -92.36 134.84 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.8 m -109.65 -28.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -148.63 119.6 1.09 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.1 p -132.8 145.97 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.41 130.32 14.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.5 t -118.17 117.33 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' GLY . 57.2 m-70 -116.32 134.03 55.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -45.8 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 132.7 -30.27 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -162.19 -166.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -170.41 159.45 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.29 140.52 47.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' CD1' ' A' ' 20' ' ' ILE . 18.1 t -124.56 149.29 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -134.05 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 75.6 m-85 -82.52 170.82 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.55 -37.94 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -128.36 166.0 19.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' ALA . 1.1 tm-20 -74.95 -54.99 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -42.07 -29.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 25.6 m120 -78.33 -49.28 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -53.72 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HB2' HD11 ' A' ' 84' ' ' LEU . 42.2 ttt180 -43.88 -34.95 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.84 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -56.44 -51.22 69.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.863 HG22 HG13 ' A' ' 18' ' ' VAL . 38.0 t -47.67 -27.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.69 -34.25 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -85.53 -74.37 1.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.774 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.4 mm-40 -38.6 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' GLU . 21.5 t70 -37.92 118.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.84 27.69 6.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.701 ' NH1' HG23 ' A' ' 36' ' ' ILE . 10.9 ttt180 -110.83 138.95 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -90.15 91.83 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.747 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.3 118.24 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.96 -2.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.12 -3.31 29.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -117.87 152.55 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.93 140.29 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD21 HG22 ' A' ' 75' ' ' ILE . 83.0 mt -95.09 126.51 40.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -96.45 100.45 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -117.16 155.82 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -160.79 162.14 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.528 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -78.36 135.31 37.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -68.5 74.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.79 -52.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -115.04 95.79 43.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.58 20.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt 43.73 48.9 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.8 130.79 40.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -167.76 137.62 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.02 -59.72 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.01 -56.42 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.64 -153.74 20.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 64.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.24 119.2 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -156.71 89.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.137 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.37 87.12 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -43.62 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.93 -105.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.55 151.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -144.77 -56.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.17 -70.64 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 112.45 24.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -75.23 91.62 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.62 145.4 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 13.9 ttp-105 -171.77 134.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.21 -54.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.87 80.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -144.85 76.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 20.5 p -128.29 97.66 4.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.844 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -136.61 146.57 46.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.003 HG13 HG22 ' A' ' 67' ' ' VAL . 54.6 t -134.01 127.45 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -98.98 99.15 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.903 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mt -84.52 114.88 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.88 165.52 12.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.81 34.33 24.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.939 HD11 HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -84.3 113.8 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.457 ' HB3' HG23 ' A' ' 28' ' ' VAL . 21.6 t30 -73.14 63.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.5 p -50.02 -22.08 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.03 -12.22 53.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.43 -47.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' ' 24' ' ' ASN . 1.9 t -76.23 140.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -110.91 -177.71 3.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.56 -40.16 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -24.5 67.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.681 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -77.29 -35.45 55.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.939 HG21 HD11 ' A' ' 23' ' ' LEU . 96.3 t -89.63 -13.69 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 8.7 mt-10 -90.46 -37.69 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.11 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 32' ' ' ASP . 88.3 mt -66.53 -34.81 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.5 m-85 -92.81 -12.57 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -64.19 -27.0 68.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -77.02 -43.06 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 17.1 m-85 -63.6 -10.99 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.85 170.75 17.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -76.8 138.48 39.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 37' ' ' PHE . 95.9 mt -101.65 134.03 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.9 m -107.35 -28.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -151.75 118.29 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.527 ' HB3' HG21 ' A' ' 43' ' ' ILE . 30.0 p -132.57 147.66 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.43 141.08 23.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 30' ' ' LYS . 92.9 t -126.8 119.73 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 60.6 m-70 -118.65 130.93 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.615 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -40.22 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.43 -37.89 2.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 11.7 p90 -156.69 -171.11 3.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 0.772 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -162.7 166.54 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -140.07 140.84 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.903 HG23 ' CD1' ' A' ' 20' ' ' ILE . 55.6 t -125.75 147.37 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.03 105.14 7.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.612 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 38.7 m-85 -80.0 167.0 21.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.14 -37.12 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -128.3 175.0 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -81.73 -51.73 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -47.01 -36.82 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.742 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m-20 -68.24 -47.99 66.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -58.23 -64.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 84' ' ' LEU . 4.0 ttm-85 -42.57 -31.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -54.15 -60.62 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.87 -51.26 68.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.003 HG22 HG13 ' A' ' 18' ' ' VAL . 71.6 t -45.71 -28.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.17 -33.0 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -87.41 -73.65 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.891 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.9 mm-40 -36.46 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.76 109.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 112.08 20.38 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -105.08 135.64 46.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.61 99.33 11.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.69 HG22 HD21 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -112.25 116.86 53.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.67 -6.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.16 -8.77 15.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.28 154.96 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.5 t -87.63 132.37 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 75' ' ' ILE . 57.7 mt -84.54 125.17 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -92.86 100.68 13.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.891 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.3 mt -115.65 151.65 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 17.6 p-10 -161.97 142.05 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.844 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.3 mt -62.13 126.1 26.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -64.69 82.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.54 -64.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.83 106.09 51.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.6 19.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 42.73 48.1 4.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 90' ' ' VAL . 7.3 p -104.22 120.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.7 t30 49.27 94.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -175.65 144.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -151.91 97.66 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.76 152.04 22.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.63 25.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -61.11 143.01 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.59 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.4 156.06 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.18 89.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.32 106.41 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -98.0 158.06 15.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -131.64 109.93 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.68 -160.4 6.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -135.6 157.14 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 t -119.15 154.07 33.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.451 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -112.95 150.68 43.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 18.3 Cg_endo -75.0 64.46 6.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER 162.68 -74.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.61 93.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tpt -117.73 93.39 4.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -164.97 36.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 92.5 p -88.54 97.34 11.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.925 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -152.52 128.07 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 38.9 t -118.25 128.68 75.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -102.85 99.22 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -83.62 121.74 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -115.8 175.26 15.76 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 9.2 t30 40.07 47.71 2.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -97.15 115.4 27.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' VAL . 41.3 t30 -69.06 64.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 23' ' ' LEU . 37.5 p -55.37 -18.2 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.5 mt -63.76 -15.02 57.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.22 -47.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -73.43 132.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -177.52 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -71.1 -45.65 63.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -20.68 58.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.642 ' O ' HD12 ' A' ' 36' ' ' ILE . 13.4 m-20 -81.91 -30.96 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 23' ' ' LEU . 92.3 t -94.52 -13.59 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 10.5 mt-10 -90.37 -40.32 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.27 -50.91 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.642 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.0 mt -54.87 -32.02 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.3 m-85 -92.84 -28.74 16.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.3 t -50.11 -27.11 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -39.42 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -71.9 -3.48 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.86 178.87 23.41 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -88.82 134.47 33.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 46' ' ' CYS . 84.2 mt -97.62 136.38 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 14.0 m -110.82 -27.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.52 119.23 0.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' HB3' HG21 ' A' ' 43' ' ' ILE . 13.7 p -131.87 146.88 52.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -149.46 133.12 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 30' ' ' LYS . 65.9 t -119.42 120.38 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' GLY . 6.6 m-70 -118.72 130.18 55.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 10.8 tttp -40.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.58 -36.6 2.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -157.35 -171.53 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -163.54 167.27 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -138.29 146.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 20' ' ' ILE . 11.1 t -129.02 142.82 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.45 107.51 10.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.727 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . 24.9 m-85 -83.89 169.35 15.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.86 -20.75 23.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.29 171.46 15.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -81.12 -42.22 21.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -55.63 -35.41 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 85.0 m-20 -78.79 -38.78 37.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . . . -67.14 -61.0 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 84' ' ' LEU . 51.3 ttt85 -43.84 -36.66 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.5 -64.66 0.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.499 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.37 -42.77 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 76.8 t -54.42 -30.06 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -34.41 13.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.44 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.5 mm-40 -38.85 -66.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.3 t70 -39.35 107.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 113.18 19.17 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -100.47 135.61 41.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.1 91.8 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -100.56 119.28 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 76.92 7.4 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 5.71 56.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.78 148.49 49.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.28 148.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.7 HD21 HG22 ' A' ' 75' ' ' ILE . 84.2 mt -106.18 128.16 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 13.4 t70 -93.24 100.72 13.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.6 mt -115.77 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.546 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 19.3 p-10 -164.91 141.84 5.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.4 mt -64.35 121.67 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -60.48 85.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -177.53 -56.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.77 108.0 59.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -8.37 20.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 43.14 48.74 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.61 125.68 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 50.31 97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -104.53 145.11 30.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -143.78 102.16 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.27 132.79 48.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 p -142.33 112.31 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 m -156.19 -58.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -140.1 -58.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.978 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t 65.2 112.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 -74.98 0.96 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.63 165.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -64.83 136.06 56.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.54 134.45 12.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.99 177.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -135.77 156.54 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.365 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.7 150.07 42.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.01 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.252 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -167.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.41 80.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -87.21 74.87 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 25.2 p -130.74 98.49 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -146.73 126.88 13.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.656 HG13 ' CG2' ' A' ' 67' ' ' VAL . 60.3 t -114.62 134.26 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.893 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.6 mp -84.97 114.87 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.93 167.73 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 50.88 42.37 27.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG21 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -91.54 114.32 26.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.8 t30 -69.13 65.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.9 p -55.45 -17.93 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.1 -12.68 41.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -139.21 -47.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.7 t -66.23 131.32 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' CE ' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -103.53 176.0 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.654 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -70.76 -37.28 73.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -12.32 61.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.678 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 m-20 -89.19 -29.9 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' CE1' ' A' ' 37' ' ' PHE . 46.7 t -94.72 -17.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 11.9 mt-10 -90.66 -24.28 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.39 -47.85 6.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 32' ' ' ASP . 95.2 mt -58.51 -32.08 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.811 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.72 -13.84 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t -66.24 -20.43 66.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -12.36 59.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.68 15.42 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.46 -177.61 18.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -93.43 132.38 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 37' ' ' PHE . 79.8 mt -95.14 138.1 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 16.1 m -109.87 -26.08 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.33 118.68 0.85 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.47 ' HB2' HG21 ' A' ' 43' ' ' ILE . 44.3 t -132.84 130.85 40.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -135.03 142.94 46.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 30' ' ' LYS . 34.9 t -124.39 116.97 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' GLY . 70.2 m-70 -112.16 131.76 55.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -38.83 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.54 -43.69 1.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' HIS . 40.7 p90 -156.62 171.46 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB2' HG13 ' A' ' 48' ' ' VAL . . . -140.82 168.94 18.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -136.82 131.57 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' CD1' ' A' ' 20' ' ' ILE . 40.0 t -114.98 138.53 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -123.94 108.46 12.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 55' ' ' VAL . 51.7 m-85 -86.89 170.26 11.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.39 -36.16 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.01 174.72 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -85.47 -41.49 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -55.69 -30.19 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -77.39 -36.37 53.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -62.55 -63.2 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.63 -45.01 27.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.66 -62.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.23 -53.02 62.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.656 ' CG2' HG13 ' A' ' 18' ' ' VAL . 18.1 t -48.43 -24.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.24 -31.19 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -94.56 -74.29 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.706 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -36.93 -68.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t70 -38.6 118.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 26.15 7.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -106.65 136.49 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.2 88.17 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -96.75 119.99 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 74.8 3.72 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.83 -2.97 41.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.53 145.81 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.32 142.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 75' ' ' ILE . 74.7 mt -100.28 124.52 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -94.7 100.72 12.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -110.68 161.2 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 84' ' ' LEU . 10.0 t30 -164.36 160.76 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.6 mt -81.25 134.05 35.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.66 76.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -168.77 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.76 101.22 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.02 19.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 40.87 54.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.73 128.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -153.58 113.03 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 -56.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.32 128.48 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.59 92.01 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.53 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.9 p -94.43 157.32 16.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.0 t -96.98 -58.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -138.05 129.03 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.21 163.31 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.03 109.19 3.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.8 77.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 147.86 24.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.042 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.07 -75.76 0.64 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.122 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -70.29 117.6 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 t -134.6 140.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.31 152.69 78.56 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 102.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -160.67 -57.62 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.4 p -91.4 171.12 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 5.4 ptp -62.71 124.37 20.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 14' ' ' MET . 14.5 m-20 177.51 67.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -135.1 97.55 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.728 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.3 ttt180 -135.02 147.55 49.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.862 HG13 HG22 ' A' ' 67' ' ' VAL . 43.5 t -136.59 125.25 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -97.55 102.21 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.952 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -87.99 102.29 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.67 176.65 22.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 44.97 55.97 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -120.79 117.68 28.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -68.6 64.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' LEU . 45.1 p -53.25 -19.62 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.24 -15.48 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -128.91 -49.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 23' ' ' LEU . 3.4 t -64.45 147.05 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -177.44 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.29 -44.19 38.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -23.52 66.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.669 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.8 t70 -75.42 -32.63 60.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.763 HG13 ' CE1' ' A' ' 37' ' ' PHE . 92.5 t -94.83 -17.17 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.6 mt-10 -90.28 -25.48 20.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.77 -40.49 11.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -65.46 -33.28 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.763 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.6 m-85 -92.17 -12.44 32.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -65.28 -10.9 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -4.41 44.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 15.5 m-85 -111.57 23.45 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 158.67 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -71.79 119.02 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' ' 37' ' ' PHE . 49.5 mt -78.06 130.65 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 56' ' ' GLN . 12.9 m -100.08 -29.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.83 124.73 1.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.45 143.11 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -143.82 141.33 30.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 30' ' ' LYS . 57.5 t -126.57 118.13 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 88.6 m-70 -118.27 128.06 54.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -39.79 100.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.13 -12.79 6.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 16.8 p90 173.84 -171.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -161.63 168.52 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.27 137.7 36.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.952 HG23 ' CD1' ' A' ' 20' ' ' ILE . 54.6 t -121.95 144.84 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.569 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -129.56 108.35 10.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 84.2 m-85 -83.71 170.93 13.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.57 -31.15 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -136.21 174.07 11.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -79.43 -57.24 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -39.58 -36.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.834 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 7.9 m120 -67.92 -52.37 37.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -51.39 -67.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttt-85 -39.72 -33.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.85 -63.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 40' ' ' TYR . . . -59.79 -48.91 79.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 18' ' ' VAL . 76.6 t -44.08 -31.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.64 -37.31 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.31 -75.51 0.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.735 ' HB3' HD12 ' A' ' 82' ' ' ILE . 15.1 mm-40 -40.19 -65.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' GLU . 27.9 t0 -38.64 112.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.93 21.95 7.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -104.66 133.31 49.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.783 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.9 100.33 12.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.781 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -115.15 121.72 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.31 -2.2 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.95 28.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -111.29 157.96 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.96 138.58 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.781 HD21 HG22 ' A' ' 75' ' ' ILE . 72.5 mt -92.37 121.78 34.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.85 100.28 12.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -110.75 151.54 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.475 ' HA ' HG13 ' A' ' 67' ' ' VAL . 2.4 p-10 -164.45 143.78 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.824 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.5 mt -61.47 127.58 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.21 72.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -159.84 -58.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -111.37 100.79 48.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 89' ' ' LYS . 18.3 Cg_endo -75.05 -8.23 19.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 33.66 53.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.4 t -107.32 135.88 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.65 164.92 25.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.5 119.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.31 -60.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.88 -131.6 2.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.18 29.71 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.6 t -137.32 129.44 29.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 p 39.72 90.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.86 110.01 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.23 102.52 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.4 122.38 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t 52.58 81.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 p -116.35 99.82 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.35 -167.21 5.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -115.69 151.86 34.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -130.36 71.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.31 163.65 22.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.09 3.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 47.88 85.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -179.53 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.9 mmt -104.87 78.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.03 75.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.9 p -136.73 97.58 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.4 ttm180 -138.92 126.21 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -110.83 138.12 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -108.39 98.97 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.99 HD11 HG23 ' A' ' 55' ' ' VAL . 2.6 mp -81.96 123.76 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.42 169.15 13.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 t30 51.12 32.22 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -79.85 113.87 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.584 ' O ' HG23 ' A' ' 28' ' ' VAL . 48.4 t-20 -74.2 64.2 1.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 23' ' ' LEU . 43.7 p -52.11 -20.41 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.03 -10.32 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.3 t -133.92 -46.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 24' ' ' ASN . 1.8 t -74.63 150.09 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.3 tptt -122.85 142.9 50.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.85 -56.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.2 m -45.89 -44.52 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -60.93 -33.87 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.69 HG13 ' CE1' ' A' ' 37' ' ' PHE . 55.4 t -84.92 -19.84 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.3 mt-10 -90.03 -23.41 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.27 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -93.26 -44.0 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 97.1 mt -62.16 -32.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.1 m-85 -92.26 -12.48 32.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -66.97 -11.32 56.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.14 -12.17 33.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 20.9 m-85 -103.7 25.32 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.01 177.13 15.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -87.61 122.92 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.573 HD11 ' HB2' ' A' ' 37' ' ' PHE . 74.8 mt -85.3 135.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.9 m -106.7 -27.35 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -160.52 121.45 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 55' ' ' VAL . 8.7 t -131.55 135.38 46.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -133.23 148.75 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB1' ' A' ' 53' ' ' ALA . 85.9 t -134.94 122.64 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLY . 62.5 m-70 -118.7 133.78 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -40.16 98.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.98 -43.8 1.26 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -149.18 -172.47 4.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 23' ' ' LEU . . . -159.23 172.63 17.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 19' ' ' PHE . 4.2 m-85 -148.32 139.22 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.99 HG23 HD11 ' A' ' 20' ' ' ILE . 75.1 t -122.84 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -123.89 109.36 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 51.8 m-85 -87.22 169.82 12.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.62 -33.07 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -136.09 169.26 17.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -77.1 -54.04 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -39.03 -41.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.759 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 75.1 m-20 -70.52 -52.41 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -48.07 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 57.1 ttt-85 -46.29 -38.65 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.362 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -47.02 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -52.72 -52.72 55.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 18' ' ' VAL . 37.1 t -47.66 -26.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.44 -31.91 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -90.46 -73.61 1.27 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HB3' HD12 ' A' ' 82' ' ' ILE . 5.4 mm-40 -38.38 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.6 t70 -38.56 116.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.68 25.06 6.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -106.75 135.35 48.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.13 90.31 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -105.55 120.99 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 80.03 1.85 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -8.43 45.06 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.461 1.101 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.15 149.52 37.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.2 143.2 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 75' ' ' ILE . 86.1 mt -97.49 126.74 42.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLY . 7.9 m-20 -95.03 100.36 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -115.44 155.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.476 ' HA ' HG13 ' A' ' 67' ' ' VAL . 12.9 t30 -163.8 163.09 24.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 64' ' ' ARG . 1.6 mt -80.18 135.85 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.45 74.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -164.48 -51.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.29 102.6 45.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -7.8 19.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.77 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.67 54.16 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.9 p -95.18 141.91 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.3 112.16 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -134.91 151.69 51.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.46 170.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.31 91.18 2.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 68.05 5.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m 60.29 107.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.67 110.63 18.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -166.43 91.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.969 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.23 146.06 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 139.68 3.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.4 p -157.83 133.06 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 p -98.82 144.53 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.64 105.32 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -60.19 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 0.811 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.77 125.75 30.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.15 146.34 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.64 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 127.99 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -69.45 165.35 21.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.9 mmm 42.32 83.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -138.18 77.98 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 t -145.06 97.51 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -140.68 131.66 26.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 HG22 ' A' ' 67' ' ' VAL . 57.9 t -114.58 136.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -105.77 98.71 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.868 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.66 116.9 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -111.36 174.37 16.68 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t30 41.41 43.58 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -92.05 114.13 26.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' HG23 ' A' ' 28' ' ' VAL . 35.6 t-20 -70.38 61.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.4 p -51.03 -21.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.6 mt -68.12 -11.28 58.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.4 t -132.69 -48.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -71.49 146.44 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.98 145.58 45.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.598 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.42 -49.4 2.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -53.43 -44.0 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.044 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.572 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.4 m-20 -62.38 -25.56 67.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 23' ' ' LEU . 61.0 t -93.92 -19.07 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.0 mt-10 -90.35 -30.54 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -84.74 -42.17 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 32' ' ' ASP . 94.7 mt -64.3 -33.28 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.671 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.1 m-85 -92.37 -12.79 31.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.53 -12.82 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 -43.74 11.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 25.5 m-85 -65.23 -10.13 29.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.74 174.04 23.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -82.02 132.0 35.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 37' ' ' PHE . 84.8 mt -95.57 136.92 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 15.6 m -108.44 -26.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.76 117.87 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 34.8 t -128.72 148.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.412 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 4.6 m -146.04 151.04 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 30' ' ' LYS . 83.8 t -134.83 123.69 41.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 66.4 m-70 -117.84 132.87 56.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.608 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' HIS . 3.8 mtpt -39.02 97.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 129.13 -44.92 1.18 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 26.6 p90 -145.36 -169.78 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -164.54 173.73 11.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CA ' HD12 ' A' ' 20' ' ' ILE . 3.9 m-85 -143.43 153.52 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.868 HG23 HD11 ' A' ' 20' ' ' ILE . 55.5 t -138.74 134.66 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.6 tp60 -116.77 106.72 13.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.614 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 48.6 m-85 -82.88 170.52 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.429 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 3.3 t -63.96 -32.15 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 58' ' ' VAL . 9.9 m120 -143.03 168.27 20.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.8 -51.27 35.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -43.74 -41.65 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.601 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.7 m120 -68.91 -41.82 77.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -60.09 -64.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 84' ' ' LEU . 3.9 ttm180 -43.18 -39.93 3.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -46.39 -65.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.0 -50.05 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.874 HG22 HG13 ' A' ' 18' ' ' VAL . 77.0 t -44.5 -32.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -36.4 12.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.23 -74.88 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.856 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.18 -68.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 24.0 t70 -38.01 115.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.65 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.2 ttt180 -109.07 140.55 42.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.57 92.17 8.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.855 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -106.21 117.62 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.8 -2.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.11 4.02 35.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -125.73 151.64 46.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -77.65 147.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 75' ' ' ILE . 77.0 mt -103.92 125.61 50.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.1 OUTLIER -96.4 100.29 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.856 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -116.39 155.57 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.0 t30 -161.19 160.65 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -77.49 135.44 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 77.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -169.43 -52.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.421 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 2.6 mt-10 -115.24 102.65 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.47 24.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.85 45.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.43 100.35 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -136.54 147.24 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -58.51 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.72 167.25 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.2 122.05 7.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.58 33.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.53 126.97 25.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 t -91.38 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.038 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 66.23 158.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.62 150.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.68 170.92 21.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -139.28 78.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 80.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.56 -152.28 17.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.52 86.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 9' ' ' THR . 15.3 t -86.13 64.2 8.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -133.92 148.41 68.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.68 159.9 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 t -171.83 106.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.9 82.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -141.97 77.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 36.7 t -147.03 109.16 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 1.4 ttm-85 -144.73 129.43 18.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.946 HG13 HG22 ' A' ' 67' ' ' VAL . 57.6 t -114.15 128.53 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -97.32 98.9 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.972 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mt -85.29 116.35 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.51 12.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 50.55 42.83 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG21 ' A' ' 33' ' ' VAL . 1.1 tt -92.81 114.02 26.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' VAL . 56.9 t-20 -68.49 67.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.358 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 23' ' ' LEU . 32.7 p -57.77 -16.89 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.7 mt -67.99 -12.58 61.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.02 -50.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.1 t -62.45 146.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -118.27 147.94 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -44.11 -49.14 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -33.33 65.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 t70 -69.28 -35.09 75.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.938 HG21 HD11 ' A' ' 23' ' ' LEU . 43.9 t -88.38 -17.52 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' SER . 7.2 mt-10 -90.63 -36.28 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.87 -46.5 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 32' ' ' ASP . 85.1 mt -60.25 -31.02 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.41 -41.21 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.2 m -45.23 -25.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -73.82 -43.73 57.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' PHE . 7.0 m-85 -65.61 -10.01 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.19 164.0 13.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -72.25 128.11 34.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 mt -94.84 139.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 17.1 m -110.53 -24.26 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.27 119.04 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 55' ' ' VAL . 12.8 t -132.07 136.34 47.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.9 m -135.48 145.27 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 ' CB ' ' A' ' 53' ' ' ALA . 77.3 t -129.56 120.11 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' GLY . 33.7 m-70 -118.4 131.2 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.588 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 8.1 tttp -40.5 97.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.53 -37.89 2.0 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' HIS . 29.0 p90 -162.33 167.08 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -139.81 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.4 m-85 -144.46 129.26 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.972 HG23 HD11 ' A' ' 20' ' ' ILE . 89.1 t -114.12 146.35 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -126.66 111.68 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' HH ' ' HD2' ' A' ' 37' ' ' PHE . 57.5 m-85 -88.88 163.07 15.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.47 -37.41 64.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -131.69 168.43 17.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -73.21 -53.25 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.3 ttp180 -37.38 -46.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.749 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 27.5 m120 -59.97 -51.74 68.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -49.19 -60.25 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -48.16 -34.68 10.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -53.81 -63.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -61.49 -50.96 70.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.946 HG22 HG13 ' A' ' 18' ' ' VAL . 71.2 t -43.92 -30.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.85 -34.73 13.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -81.01 -73.7 1.17 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.818 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.6 mm-40 -39.73 -70.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.3 t70 -36.23 112.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.86 22.95 7.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -105.52 134.95 47.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.29 88.59 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -99.01 122.77 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.53 5.71 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.43 1.95 55.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.452 HE22 ' ND2' ' A' ' 24' ' ' ASN . 1.2 mt-30 -121.12 142.62 49.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.32 146.21 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 75' ' ' ILE . 81.0 mt -104.24 122.43 45.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.15 100.26 13.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.818 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.8 mt -116.79 154.01 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.0 t30 -159.34 157.36 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -75.89 132.49 40.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -63.3 81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -171.22 -52.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.88 105.88 54.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.63 22.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -22.68 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.62 104.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.08 97.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -97.37 101.44 12.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -97.52 156.51 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.69 95.51 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.75 93.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.76 120.48 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -171.99 134.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.38 145.56 16.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 -107.9 3.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.64 86.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.02 153.9 29.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.1 178.31 46.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.28 84.67 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.82 134.46 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -84.88 147.87 49.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 60.69 5.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.47 77.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.7 62.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.3 mmt -128.18 166.14 19.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -150.45 -62.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 51.6 p -87.16 100.34 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -145.51 141.57 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.949 HG13 HG22 ' A' ' 67' ' ' VAL . 49.9 t -129.4 131.21 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -102.64 100.79 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.643 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -86.57 107.26 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.06 176.91 22.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 79' ' ' VAL . 13.4 t30 42.59 38.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.846 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.44 114.3 25.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 6.3 t-20 -62.73 79.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 23' ' ' LEU . 68.9 p -73.03 2.37 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 5.4 mt -90.1 -16.28 29.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 28' ' ' VAL . 4.1 m -126.68 -50.85 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -66.86 150.15 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -177.58 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.5 -47.69 25.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -25.51 63.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.5 m-20 -72.09 -30.52 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.846 HG21 HD11 ' A' ' 23' ' ' LEU . 41.2 t -94.8 -19.76 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -90.1 -21.34 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.15 -47.71 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -60.04 -30.76 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.8 m-85 -92.5 -15.3 27.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 -21.13 66.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -84.42 -4.89 59.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 66' ' ' ALA . 8.0 m-85 -109.51 15.46 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.39 -173.52 21.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -99.6 116.39 31.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.8 mt -78.62 131.9 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 56' ' ' GLN . 14.9 m -107.73 -30.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -150.04 115.12 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.89 146.82 52.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.418 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 3.8 p -148.35 151.58 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.536 HG23 ' HD2' ' A' ' 30' ' ' LYS . 77.1 t -130.1 114.37 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' LYS . 14.4 m-70 -114.71 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.598 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -39.46 101.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.7 -30.71 3.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' HIS . 13.5 p90 -168.04 -171.6 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -156.54 161.37 39.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 7.7 m-85 -130.93 139.43 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.643 HG23 ' CD1' ' A' ' 20' ' ' ILE . 39.3 t -126.01 148.22 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.3 tp60 -134.72 107.89 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CE1' ' HA ' ' A' ' 63' ' ' ALA . 50.6 m-85 -83.95 170.7 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.28 -26.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -146.82 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ARG . 6.4 tt0 -58.54 -53.25 60.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 60' ' ' GLU . 4.2 mtt180 -38.71 -44.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 67.4 m-20 -63.6 -53.23 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -51.97 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 63' ' ' ALA . 11.2 ttt180 -38.71 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.19 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -58.03 -52.76 64.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 HG13 ' A' ' 18' ' ' VAL . 71.3 t -43.66 -29.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.84 -35.75 12.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -82.86 -74.36 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.872 ' HB3' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -38.43 -63.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 4.9 t0 -39.94 106.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.35 -8.65 13.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.07 134.25 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.39 101.13 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.903 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -109.67 124.98 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 72.11 6.09 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.38 17.38 36.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.575 1.172 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -130.49 147.66 52.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.427 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 77.3 t -80.71 130.89 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.903 HD21 HG22 ' A' ' 75' ' ' ILE . 63.4 mt -92.0 123.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.88 100.29 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.8 mt -113.96 150.04 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -163.98 142.86 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.867 ' HG ' HG21 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -60.93 129.08 39.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.33 77.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -169.52 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.43 120.17 59.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.74 16.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -88.71 47.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 t -108.46 131.86 57.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -43.62 -55.18 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 70.6 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.38 -70.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.3 160.27 21.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.89 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.91 144.39 46.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -133.33 140.09 47.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.46 81.97 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 109.956 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -48.33 -58.82 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.11 -131.57 42.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.1 m 62.88 119.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -140.25 -58.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.07 -151.99 0.32 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.572 1.17 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.66 108.03 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -81.83 146.79 29.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.41 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -135.63 147.13 60.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.1 3.94 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 178.91 -50.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 t -64.58 166.03 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.08 86.49 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -144.67 77.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 p -126.63 100.74 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.852 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -144.2 141.42 29.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 67' ' ' VAL . 45.4 t -128.57 130.87 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -104.16 99.28 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.91 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.92 121.51 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -116.76 174.21 15.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 80' ' ' LEU . 7.7 t30 39.46 50.99 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.81 116.39 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.5 t-20 -64.3 77.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 27.4 p -71.23 2.01 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.73 -15.92 31.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.8 m -126.8 -50.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' ASN . 4.5 t -64.33 149.55 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 5.0 tptt -117.21 143.42 45.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -41.37 -55.77 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ALA . 1.2 m -46.16 -37.85 7.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.1 m-20 -65.59 -35.48 80.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 23' ' ' LEU . 41.3 t -85.6 -19.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' LYS . 9.9 mt-10 -90.04 -24.92 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -90.03 -47.18 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 32' ' ' ASP . 65.1 mt -59.83 -30.77 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.1 m-85 -92.39 -14.34 28.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -67.59 -11.09 57.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -86.75 -27.29 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 35.5 m-85 -90.86 20.6 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.43 177.95 15.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -89.24 133.87 34.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 37' ' ' PHE . 83.8 mt -91.85 137.83 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -110.07 -26.4 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.34 116.71 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.5 t -125.55 149.37 48.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.04 145.22 29.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 30' ' ' LYS . 41.5 t -128.81 124.37 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' HG21 ' A' ' 25' ' ' THR . 31.9 m-70 -118.05 150.69 38.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -62.02 81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 145.08 -22.95 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -170.12 -171.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -159.06 166.63 31.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.1 135.04 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.91 HG23 ' CD1' ' A' ' 20' ' ' ILE . 72.5 t -120.6 141.26 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -125.79 108.9 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 83.1 m-85 -85.41 169.63 13.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.99 -33.35 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -135.84 160.36 38.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' ALA . 44.5 tt0 -70.13 -50.64 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.5 ttt85 -37.6 -47.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.743 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 2.4 m120 -68.03 -47.31 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -49.39 -65.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HB2' HD11 ' A' ' 84' ' ' LEU . 47.6 ttt85 -46.47 -36.73 6.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -52.71 -60.63 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.524 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.53 -51.0 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.764 ' CG2' HG13 ' A' ' 18' ' ' VAL . 3.3 t -52.88 -22.74 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.88 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.79 -73.44 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 82' ' ' ILE . 1.7 mm-40 -39.47 -66.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' GLU . 32.9 t70 -39.57 104.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.85 18.47 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -98.81 135.18 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.24 93.7 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.72 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -101.94 119.42 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.34 4.35 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.93 7.26 50.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.79 147.71 50.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.25 154.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.72 HD21 HG22 ' A' ' 75' ' ' ILE . 95.0 mt -111.67 127.38 55.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLY . 38.8 t70 -92.97 100.01 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -115.58 154.57 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.578 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.4 p-10 -164.75 140.01 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 17' ' ' ARG . 2.6 mt -61.91 127.03 29.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.74 74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -159.26 -64.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -108.8 113.14 59.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -6.87 18.58 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt 42.67 47.84 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -99.48 142.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -118.91 107.74 13.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -98.18 101.81 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.27 109.82 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -123.11 -157.25 9.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 87.86 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 t 58.57 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 90.83 3.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -104.7 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.5 t -179.15 89.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.52 -172.53 0.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -150.48 -59.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p 41.61 87.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.038 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.61 74.79 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.88 98.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.77 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.84 112.97 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.82 151.34 68.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.01 19.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.86 76.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.09 83.51 6.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.2 169.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -78.86 58.5 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -110.06 98.08 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.635 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt85 -142.06 133.13 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HG22 ' A' ' 67' ' ' VAL . 61.8 t -121.5 125.22 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -95.87 100.24 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.726 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mp -85.96 101.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.41 179.63 30.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 40.56 34.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -90.21 114.1 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.694 HD22 HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -64.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.9 p -75.1 2.55 10.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -88.41 -8.23 55.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.694 HG22 HD22 ' A' ' 24' ' ' ASN . 4.4 m -137.25 -49.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.4 t -67.49 150.43 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 179.81 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.26 -45.86 53.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.5 59.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.643 ' O ' HD12 ' A' ' 36' ' ' ILE . 64.9 m-20 -81.5 -29.8 33.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 HD11 ' A' ' 23' ' ' LEU . 93.7 t -94.65 -13.99 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 10.1 mt-10 -90.39 -39.34 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.91 -33.69 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 32' ' ' ASP . 77.7 mt -71.63 -34.06 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 33' ' ' VAL . 4.7 m-85 -92.53 -12.29 32.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -67.03 -9.15 36.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 2.9 ptmt -96.73 -0.12 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 19.6 m-85 -117.03 20.05 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.54 171.02 13.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -82.65 130.39 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 46' ' ' CYS . 68.6 mt -91.34 133.34 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 8.9 m -109.85 -29.65 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -147.89 119.32 1.08 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' A' ' 43' ' ' ILE . 19.4 p -132.25 144.81 50.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 1.6 p -149.17 138.35 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.659 HG23 ' HD2' ' A' ' 30' ' ' LYS . 72.5 t -122.37 112.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 17.9 m-70 -111.48 129.63 55.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -39.91 98.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.19 -33.77 2.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -163.39 -172.83 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -154.51 157.42 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -128.17 122.69 32.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.5 t -109.34 149.04 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -135.54 109.17 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 48.3 m-85 -85.98 170.92 11.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.9 -28.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -139.77 159.72 41.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.6 tt0 -70.5 -51.99 25.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -47.24 -40.73 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 34.8 m-20 -71.07 -30.39 66.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -70.9 -65.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 84' ' ' LEU . 7.4 ttm180 -40.47 -33.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.74 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -55.1 -40.93 71.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.932 HG22 HG13 ' A' ' 18' ' ' VAL . 79.2 t -54.75 -29.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.81 -34.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.7 -74.16 1.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.691 ' HB3' HD12 ' A' ' 82' ' ' ILE . 12.1 mm-40 -39.83 -65.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' GLU . 16.7 t70 -38.59 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.41 24.12 6.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -104.0 134.07 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -85.55 93.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.777 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -108.88 121.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 81.2 0.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.46 -6.75 39.09 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.4 mt-30 -116.71 154.41 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.56 151.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD21 HG22 ' A' ' 75' ' ' ILE . 72.0 mt -107.03 127.01 53.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' OD2' ' CE ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -96.93 100.7 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.6 mt -113.67 153.65 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -164.44 144.0 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.722 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -61.89 129.41 40.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.25 79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -168.86 -58.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.38 108.06 59.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.67 8.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' CE ' ' OD2' ' A' ' 81' ' ' ASP . 8.3 pttm -71.15 63.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -96.84 136.54 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -58.31 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.58 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.0 p -64.79 146.85 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.33 80.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.12 6.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 p 170.65 122.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 m 54.64 169.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -71.15 160.26 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 p -43.65 166.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.66 -107.16 1.79 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -115.4 140.11 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -169.19 102.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.23 -112.59 1.36 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -89.7 167.0 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.62 70.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.67 155.74 47.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.06 7.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -170.09 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.51 -56.74 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.32 90.87 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -157.82 75.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.422 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 11.9 p -126.57 98.29 5.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 ttm105 -142.64 128.21 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.641 HG13 HG22 ' A' ' 67' ' ' VAL . 57.1 t -113.75 134.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -103.96 100.05 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.5 mp -84.47 121.51 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.36 171.47 14.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 41.77 51.48 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -104.59 114.16 28.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.77 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.83 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 p -74.77 2.96 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.35 -7.88 55.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.77 HG22 HD22 ' A' ' 24' ' ' ASN . 4.3 m -138.37 -50.04 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 75' ' ' ILE . 3.2 t -67.77 150.77 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.16 -177.33 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.76 -45.32 37.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -57.4 -29.49 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' HG13 ' A' ' 28' ' ' VAL . 3.5 t70 -70.55 -30.59 67.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 41.1 t -91.1 -19.76 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' CD ' ' SG ' ' A' ' 46' ' ' CYS . 7.0 mt-10 -89.63 -27.1 20.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.98 -48.23 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 32' ' ' ASP . 96.1 mt -58.78 -31.25 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.93 -16.16 25.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -63.31 -12.37 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.65 0.25 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.33 20.05 13.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.15 170.81 13.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -82.03 132.17 35.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 37' ' ' PHE . 91.2 mt -93.02 132.13 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 9.5 m -104.87 -25.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -153.25 126.73 2.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 11.6 p -132.74 147.37 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 1.7 p -149.42 137.72 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 30' ' ' LYS . 73.0 t -130.49 108.95 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' PHE . 28.3 m-70 -111.11 129.19 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -40.49 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.07 -26.14 5.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.561 1.163 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 52.9 p90 -168.78 -167.48 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 47' ' ' SER . . . -167.33 173.24 9.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CA ' HD12 ' A' ' 20' ' ' ILE . 6.8 m-85 -147.87 148.8 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 20' ' ' ILE . 6.9 t -129.86 153.34 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -136.49 104.08 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 70.5 m-85 -81.33 170.61 15.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.19 -31.63 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -133.34 174.39 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -83.23 -48.82 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -47.97 -35.05 10.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 39.9 m-20 -72.92 -46.11 54.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -56.29 -63.97 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -42.93 -38.86 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -48.86 -63.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -54.36 -50.09 68.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.641 HG22 HG13 ' A' ' 18' ' ' VAL . 24.5 t -50.92 -23.96 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.81 -31.9 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -92.84 -74.32 1.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.8 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -37.42 -67.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.6 t70 -39.22 112.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.94 23.9 6.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -102.21 138.02 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.97 89.58 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.899 HG22 HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -98.27 119.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.06 0.45 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.52 1.02 37.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.447 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -119.61 145.36 46.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.3 t -72.8 151.46 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.899 HD21 HG22 ' A' ' 75' ' ' ILE . 81.8 mt -108.62 123.24 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.7 t70 -92.21 99.56 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.8 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.0 mt -115.07 156.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 5.0 t30 -163.64 160.84 23.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -78.56 135.87 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.39 76.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -164.46 -55.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 5.1 mt-10 -110.58 114.5 54.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.87 15.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.11 54.41 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.54 122.61 39.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 74.09 -64.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -172.31 132.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.29 117.46 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.44 115.65 0.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.39 40.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -176.67 122.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.7 t -106.12 -58.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p -68.33 123.48 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.761 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.24 91.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.42 98.63 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 p -128.02 147.35 50.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 p -148.28 136.57 21.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.01 124.86 2.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.6 144.79 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -123.88 154.06 40.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -134.53 145.52 55.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.41 33.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -158.03 159.86 36.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p -110.25 125.13 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt 38.21 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -156.45 76.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 4.4 p -134.63 97.45 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -143.23 130.55 20.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG13 HG22 ' A' ' 67' ' ' VAL . 48.3 t -115.51 129.7 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -101.06 99.7 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 55' ' ' VAL . 2.5 mp -82.55 120.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' ASP . . . -119.57 174.75 15.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.9 t30 38.85 47.92 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -104.92 114.25 28.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.786 HD22 HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.82 79.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.9 p -74.55 2.84 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.9 mt -88.37 -7.26 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.786 HG22 HD22 ' A' ' 24' ' ' ASN . 3.8 m -137.29 -49.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.9 t -70.35 140.68 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -177.57 3.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.28 -40.19 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -19.54 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.677 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 m-20 -82.02 -30.89 31.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.82 HG21 HD11 ' A' ' 23' ' ' LEU . 46.6 t -93.92 -12.8 8.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 38' ' ' SER . 8.3 mt-10 -89.72 -45.33 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -21.71 58.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 32' ' ' ASP . 37.3 mt -81.08 -36.45 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.673 ' CE1' HG13 ' A' ' 33' ' ' VAL . 6.2 m-85 -93.0 -22.48 19.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.0 m -65.56 -16.35 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -10.65 54.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -101.86 -0.6 33.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.01 159.18 8.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -64.12 131.67 48.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.01 133.74 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.5 m -109.77 -24.59 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' GLN . . . -146.99 121.26 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 12.1 p -131.68 136.69 47.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -149.16 142.67 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.62 HG23 ' HD2' ' A' ' 30' ' ' LYS . 62.4 t -131.9 115.55 27.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 70.4 m-70 -115.94 125.55 52.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.627 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 12.1 mttp -39.9 100.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 127.25 -11.79 6.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 18.9 p90 174.73 -176.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -156.03 173.28 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.4 m-85 -149.9 139.39 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.758 HG23 HD11 ' A' ' 20' ' ' ILE . 93.9 t -127.47 144.72 36.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -125.97 112.16 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 85.8 m-85 -88.7 170.27 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.55 -30.97 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -143.42 149.13 37.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.9 tt0 -57.9 -48.32 80.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 9.3 mtm180 -37.71 -47.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.1 m-20 -68.58 -46.76 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.88 -63.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 84' ' ' LEU . 64.1 ttt180 -43.66 -40.19 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.18 -62.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -54.36 -52.47 61.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.674 HG22 HG13 ' A' ' 18' ' ' VAL . 22.2 t -49.16 -24.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.18 -31.7 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.43 -73.3 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.683 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.1 mm-40 -36.84 -72.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -38.63 122.64 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.41 27.14 7.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.512 ' NH1' HG23 ' A' ' 36' ' ' ILE . 8.6 ttt180 -111.14 138.76 47.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.73 90.4 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -101.97 117.07 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.49 -3.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.27 6.15 29.72 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -129.13 150.73 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.36 154.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 68.6 mt -109.99 125.44 52.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' GLY . 35.7 t70 -94.88 99.64 11.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 70' ' ' GLU . 2.7 mt -118.23 156.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -164.99 161.03 19.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 17' ' ' ARG . 3.6 mt -77.91 128.86 34.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -66.4 73.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -161.38 -49.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -115.72 95.65 44.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.9 22.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.8 47.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 t -106.78 123.78 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.93 106.77 15.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -68.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -168.07 144.91 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.02 -84.96 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.83 39.79 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.8 t -162.32 118.46 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.1 p -171.4 136.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -167.11 -58.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -118.95 151.1 38.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.28 163.87 34.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -87.07 163.96 16.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -166.18 142.82 5.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 153.81 24.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.45 51.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -114.61 76.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -131.69 135.45 26.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -167.02 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.44 141.28 41.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 157.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 tpp -82.67 86.85 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -152.61 75.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -139.14 98.25 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.801 ' O ' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.63 142.93 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 67' ' ' VAL . 47.2 t -130.55 124.43 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -97.62 99.71 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -83.57 103.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -99.3 178.39 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.9 t30 39.49 37.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.84 116.03 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t-20 -62.79 78.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 23' ' ' LEU . 29.2 p -72.68 1.86 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -89.45 -16.37 30.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 28' ' ' VAL . 3.8 m -126.26 -48.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG23 HG23 ' A' ' 27' ' ' VAL . 3.1 t -71.28 150.65 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -121.88 143.39 49.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -40.16 -38.31 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 4.4 t -57.2 -49.25 76.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.662 ' O ' HD12 ' A' ' 36' ' ' ILE . 14.0 m-20 -61.05 -28.46 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 23' ' ' LEU . 95.6 t -88.64 -15.46 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' SER . 5.3 mt-10 -90.0 -44.8 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 32' ' ' ASP . 71.9 mt -80.44 -35.62 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.628 ' HB2' HD11 ' A' ' 43' ' ' ILE . 4.0 m-85 -92.12 -12.58 32.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -64.32 -15.72 60.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -28.58 22.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE2' ' HG2' ' A' ' 70' ' ' GLU . 25.1 m-85 -84.27 10.74 9.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.34 166.42 11.38 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -76.39 126.93 31.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 37' ' ' PHE . 76.3 mt -90.92 130.58 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 10.8 m -106.19 -25.66 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.74 122.41 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.2 p -130.88 137.02 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -149.36 139.98 22.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 110.036 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 30' ' ' LYS . 86.4 t -126.4 112.83 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LYS . 83.1 m-70 -113.86 127.22 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' HIS . 4.1 mttt -39.63 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.18 -17.46 7.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 34.7 p90 179.27 -167.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . . . -160.34 158.77 30.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -124.79 129.42 50.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 20' ' ' ILE . 25.6 t -118.45 141.26 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 3.4 tp60 -126.69 116.05 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 47.4 m-85 -91.13 170.79 9.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.61 -30.86 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 170.68 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -74.19 -53.57 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.86 -38.02 46.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -66.92 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -75.85 -65.95 0.84 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.568 ' HB2' HD11 ' A' ' 84' ' ' LEU . 43.0 ttt180 -38.8 -39.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.3 -63.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -57.58 -51.62 68.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 18' ' ' VAL . 71.7 t -44.37 -30.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.26 -33.45 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -85.97 -74.9 1.26 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 26.1 mm-40 -39.66 -62.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' GLU . 15.4 t70 -38.98 110.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.21 22.1 7.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -98.7 136.1 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.79 95.0 9.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.823 HG22 HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -106.39 122.94 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.04 1.9 3.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.39 4.25 46.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 150.58 43.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -73.9 153.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD21 HG22 ' A' ' 75' ' ' ILE . 84.9 mt -112.79 126.65 55.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 100.42 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 70' ' ' GLU . 4.4 mt -113.47 153.98 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -164.6 141.56 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.845 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.3 mt -61.72 125.24 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.04 81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -172.13 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -123.28 106.4 33.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 90' ' ' VAL . 18.3 Cg_endo -74.99 -5.01 16.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 39.78 34.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 88' ' ' PRO . 6.3 t -95.96 117.61 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -50.03 -61.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.41 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.6 mtp85 -49.79 130.98 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.231 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.4 m -44.3 -61.68 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.89 96.72 1.03 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.31 2.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -156.91 152.51 26.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 m 41.62 78.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.1 96.38 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -84.07 -58.76 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.44 -69.71 0.57 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.572 1.17 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -115.09 113.74 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.57 95.56 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.49 145.12 26.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.71 89.48 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.0 p -50.01 109.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.44 163.1 60.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.45 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.29 -48.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.78 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.52 158.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 61.79 73.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 60' ' ' GLU . 2.0 m -121.81 97.57 5.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -150.68 138.31 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.779 HG13 HG22 ' A' ' 67' ' ' VAL . 47.4 t -121.9 120.42 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -93.16 105.13 17.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -89.89 113.1 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -110.13 179.85 20.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' GLY . 35.3 t30 39.82 34.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.784 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -83.7 113.99 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' VAL . 42.7 t-20 -69.41 61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' LEU . 59.9 p -50.4 -23.62 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.01 -14.09 51.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -129.02 -46.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 24' ' ' ASN . 2.2 t -74.5 149.89 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 3.2 tptt -121.81 155.13 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.4 tttt -49.07 -57.32 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -49.94 -37.0 30.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.62 -35.57 80.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.784 HG21 HD11 ' A' ' 23' ' ' LEU . 56.7 t -85.14 -19.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' LYS . 14.3 mt-10 -90.32 -30.03 17.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -81.96 -47.97 12.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CG2' ' OE2' ' A' ' 70' ' ' GLU . 64.2 mt -60.16 -32.58 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 5.0 m-85 -92.71 -12.22 32.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -68.21 -16.61 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.63 -12.74 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.683 ' CB ' ' HB2' ' A' ' 66' ' ' ALA . 16.9 m-85 -102.36 25.07 9.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.58 175.24 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 127.05 35.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 46' ' ' CYS . 85.7 mt -88.22 136.75 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 13.1 m -109.73 -27.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.45 117.94 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' ILE . 16.7 t -133.09 145.72 51.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.447 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 12.7 m -147.51 150.72 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.683 HG22 ' CB ' ' A' ' 53' ' ' ALA . 48.7 t -135.81 118.0 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' GLY . 59.0 m-70 -116.78 133.0 56.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' HIS . 7.4 tttt -40.01 98.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.52 -38.55 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -157.59 -172.2 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 48' ' ' VAL . . . -158.31 170.83 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.48 144.79 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 57' ' ' TYR . 7.8 t -130.87 143.02 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.4 tp60 -131.9 106.74 8.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' OH ' ' CB ' ' A' ' 66' ' ' ALA . 53.9 m-85 -82.64 165.85 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.84 -39.98 42.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -136.65 166.96 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 16' ' ' SER . 9.9 tt0 -66.84 -43.72 82.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 62' ' ' ASN . 20.0 ptt180 -52.13 -40.35 61.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 6.7 m-20 -71.04 -25.07 62.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -82.08 -44.41 16.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.25 -26.59 66.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.683 ' HB2' ' CB ' ' A' ' 40' ' ' TYR . . . -61.5 -38.71 88.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.843 HG21 ' HG ' ' A' ' 84' ' ' LEU . 4.8 t -63.12 -19.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.27 -22.03 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLU . . . -104.95 -74.82 0.98 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 38.2 mm-40 -35.87 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -35.83 104.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.79 8.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -92.93 132.21 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 0.731 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.59 87.53 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 28.1 mt -107.01 120.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 82.54 1.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.16 -7.59 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.27 141.89 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.48 110.19 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.619 HD22 ' HA ' ' A' ' 23' ' ' LEU . 19.0 mt -67.16 126.63 29.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.1 99.91 12.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.504 ' HB ' ' CG ' ' A' ' 71' ' ' ASP . 8.9 mt -117.51 153.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -166.57 144.02 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.843 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.9 mt -61.95 126.64 28.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.03 83.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -171.24 -50.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -120.28 101.64 46.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.15 27.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -54.98 -20.18 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.0 t -72.14 101.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -91.4 126.89 36.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.38 -53.57 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.03 148.94 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.99 36.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.16 115.17 2.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.7 p 44.94 84.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -169.39 136.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -100.51 146.99 26.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 62.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -135.82 112.09 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -126.04 114.52 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.25 -152.64 21.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.52 97.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.5 t -166.34 163.6 17.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.412 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -139.12 151.84 68.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -175.64 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.42 106.93 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.29 148.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.4 ttt -79.62 80.01 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -147.16 72.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.574 ' OG ' ' HB2' ' A' ' 63' ' ' ALA . 33.4 t -145.85 107.55 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -141.17 131.7 25.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 67' ' ' VAL . 58.8 t -116.11 132.26 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.53 102.1 12.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.763 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.4 mp -88.09 121.01 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.71 175.74 15.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' HD23 ' A' ' 80' ' ' LEU . 1.7 t30 45.2 35.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 0.724 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -87.51 113.69 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.743 ' ND2' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.9 78.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 23' ' ' LEU . 36.7 p -73.27 2.55 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.18 -8.7 50.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.743 HG22 ' ND2' ' A' ' 24' ' ' ASN . 3.9 m -138.5 -50.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 24' ' ' ASN . 3.3 t -64.09 150.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE3' ' CB ' ' A' ' 30' ' ' LYS . 4.7 tptt -115.37 148.54 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' CB ' ' HE3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -45.28 -56.83 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -27.06 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.632 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.7 t0 -71.46 -30.27 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 23' ' ' LEU . 44.7 t -93.22 -18.42 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.59 -24.16 20.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.9 -44.8 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 32' ' ' ASP . 96.2 mt -61.41 -32.37 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.743 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.7 m-85 -92.61 -13.38 29.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.89 -23.29 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.6 -5.17 54.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -112.59 23.38 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.9 166.63 12.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -81.74 117.76 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.557 HD11 ' HB2' ' A' ' 37' ' ' PHE . 46.8 mt -79.4 128.22 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 11.2 m -96.83 -27.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.18 124.12 1.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.457 ' HB2' HG21 ' A' ' 43' ' ' ILE . 33.0 t -132.7 141.47 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -135.39 147.58 49.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.935 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG22 ' HB1' ' A' ' 53' ' ' ALA . 84.3 t -133.43 119.03 33.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 24.3 m-70 -118.61 131.93 56.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -41.2 97.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 131.79 -34.74 2.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 17.3 p90 -160.19 -171.35 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.531 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -163.77 170.5 16.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -139.64 153.36 47.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.763 HG23 ' CD1' ' A' ' 20' ' ' ILE . 24.3 t -136.26 136.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 tp60 -120.24 108.51 14.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CE1' HG12 ' A' ' 55' ' ' VAL . 77.4 m-85 -87.25 159.18 18.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.71 -31.49 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -133.55 159.45 40.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.08 -52.23 37.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -42.71 -39.45 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.6 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 69.4 m-20 -63.86 -44.09 94.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.574 ' HB2' ' OG ' ' A' ' 16' ' ' SER . . . -55.56 -64.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -45.75 -42.42 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -45.76 -64.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -55.4 -51.66 66.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.677 ' CG2' HG13 ' A' ' 18' ' ' VAL . 24.2 t -48.88 -24.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 66' ' ' ALA . . . -94.03 -32.42 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -92.78 -74.38 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.661 ' HB3' HD12 ' A' ' 82' ' ' ILE . 3.7 mm-40 -36.88 -67.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 0.738 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' GLU . 6.5 t70 -39.39 120.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.68 25.89 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -107.37 135.34 49.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.37 90.63 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -104.0 118.27 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 83.62 -2.99 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.45 -9.72 28.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 1.2 mt-30 -113.96 155.71 25.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.6 146.82 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 75' ' ' ILE . 92.2 mt -100.48 125.82 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.83 100.49 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.3 mt -109.4 161.14 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 7.3 t30 -164.63 160.5 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' ALA . 1.5 mt -80.16 136.34 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 17' ' ' ARG . . . -65.54 75.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -165.91 -54.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 2.9 mt-10 -115.79 112.42 42.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.05 22.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -91.89 47.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 t -106.99 139.28 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.32 110.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 61.22 140.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 p -49.49 -58.37 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.072 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 150.92 156.88 7.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -42.74 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.7 t -112.6 153.72 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t 59.35 157.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -163.99 93.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -98.03 130.51 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.039 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.66 83.66 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.31 164.32 8.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -59.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.34 120.18 4.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -118.06 89.58 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -81.14 125.1 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.67 156.48 58.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.66 2.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 73.61 -61.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.14 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.072 . . . . 0.0 109.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.16 96.24 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -161.4 72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 7.8 p -128.36 97.66 4.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.816 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.5 ttt180 -137.95 147.25 44.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 67' ' ' VAL . 48.9 t -133.44 134.51 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD2' ' OD1' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -106.42 98.7 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.858 HD11 HG23 ' A' ' 55' ' ' VAL . 2.4 mp -82.34 113.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -112.3 174.02 15.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.4 t30 39.81 51.55 2.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 0.756 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.741 ' O ' HG23 ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.12 116.94 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.484 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 7.9 t-20 -62.32 79.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 23' ' ' LEU . 79.9 p -72.82 2.76 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.72 -15.23 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' ASN . 3.9 m -127.32 -51.62 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 27' ' ' VAL . 3.6 t -65.43 149.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' ASP . 4.0 tptt -120.29 153.02 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -46.07 -56.35 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -46.82 -43.45 18.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 m-20 -61.88 -31.35 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 42.7 t -87.76 -19.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.5 mt-10 -90.24 -25.2 20.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . . . -87.82 -40.47 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 89.4 mt -67.45 -32.91 59.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 6.2 m-85 -91.97 -12.66 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -67.48 -10.27 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -95.31 -6.93 40.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 13.0 m-85 -108.33 23.46 14.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.49 171.04 13.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -81.95 122.28 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 37' ' ' PHE . 50.9 mt -83.05 130.2 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 12.6 m -103.08 -24.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.48 121.98 1.07 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 55' ' ' VAL . 25.5 t -130.17 141.55 50.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -140.47 149.56 42.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG23 ' HD2' ' A' ' 30' ' ' LYS . 49.7 t -131.14 107.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 18.4 m-70 -105.93 126.63 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -38.56 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.231 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.7 -21.7 7.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 49' ' ' HIS . 8.5 p90 -172.47 -171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -153.25 169.33 23.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 17.6 m-85 -143.66 130.09 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 20' ' ' ILE . 75.5 t -118.93 148.63 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 tp60 -132.28 111.2 11.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 63' ' ' ALA . 68.7 m-85 -88.07 169.2 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.14 -38.22 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 175.47 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 -53.71 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -41.41 -31.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.831 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.4 m120 -77.89 -51.03 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 57' ' ' TYR . . . -52.15 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 84' ' ' LEU . 18.5 ttm180 -38.19 -34.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.831 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -50.95 -64.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -56.76 -49.88 73.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 18' ' ' VAL . 78.1 t -47.07 -30.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.5 -34.6 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -82.84 -74.67 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.765 ' HB3' HD12 ' A' ' 82' ' ' ILE . 2.0 mm-40 -39.98 -67.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 70' ' ' GLU . 7.4 t70 -36.93 112.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.98 24.24 6.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -106.63 136.83 45.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 78' ' ' GLN . 0.4 OUTLIER -90.08 93.37 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.839 HG22 HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -102.71 117.93 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 78.76 -0.46 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.06 -9.78 29.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' MET . 3.1 pt20 -108.14 152.5 24.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.96 147.03 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 75' ' ' ILE . 55.2 mt -104.48 118.07 35.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.52 100.16 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 70' ' ' GLU . 3.1 mt -111.67 153.4 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 21.1 p-10 -161.2 141.1 10.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 17' ' ' ARG . 1.1 mt -61.85 127.27 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -173.7 -61.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -103.26 107.7 56.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.29 21.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.26 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.19 117.57 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.91 106.52 18.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.26 147.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m -155.68 -76.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.16 -118.14 3.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.37 30.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.2 m -78.57 153.8 30.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -142.72 122.72 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.08 -52.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m 57.62 163.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.38 165.4 12.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -116.52 162.17 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -179.69 97.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.75 76.99 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.99 105.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.354 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.0 p -126.77 -55.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.367 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.62 150.14 74.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.11 42.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -65.59 152.23 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -108.65 -57.86 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -140.19 83.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -146.12 76.09 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' A' ' 57' ' ' TYR . 12.9 t -120.31 100.31 7.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.652 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.3 ttt180 -147.68 135.76 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.836 HG13 HG22 ' A' ' 67' ' ' VAL . 93.7 t -128.0 124.33 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 82' ' ' ILE . 5.4 t80 -95.38 115.44 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.834 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp -95.93 101.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . -95.47 176.38 33.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' GLY . 15.1 t30 39.5 48.17 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.16 113.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.78 HD22 HG22 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -64.39 80.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 23' ' ' LEU . 44.6 p -73.39 2.74 7.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.97 -7.82 56.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 24' ' ' ASN . 4.2 m -140.1 -50.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.652 HG13 ' OD2' ' A' ' 32' ' ' ASP . 3.2 t -65.69 150.47 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 -177.75 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.08 -21.09 51.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -82.9 -9.92 59.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.652 ' OD2' HG13 ' A' ' 28' ' ' VAL . 1.1 t70 -84.76 -34.06 22.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 23' ' ' LEU . 38.8 t -94.47 -14.1 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 25.5 mt-10 -90.71 -31.33 16.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.92 -55.77 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 32' ' ' ASP . 84.1 mt -50.29 -29.6 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.887 ' CE1' HG13 ' A' ' 33' ' ' VAL . 5.4 m-85 -92.36 -26.82 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -53.24 -32.63 49.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -67.42 -32.11 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 69' ' ' GLY . 11.3 m-85 -84.05 10.73 9.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.43 169.71 11.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -82.36 127.74 33.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 37' ' ' PHE . 80.6 mt -90.06 136.43 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 56' ' ' GLN . 19.3 m -106.85 -26.8 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.7 121.39 1.04 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 29.5 t -133.11 135.43 45.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.409 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 13.9 m -133.4 152.28 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG22 ' HB1' ' A' ' 53' ' ' ALA . 86.4 t -133.79 121.0 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 93.0 m-70 -115.59 134.01 55.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.554 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -40.16 97.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' HIS . . . 130.62 -41.17 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' HIS . 10.3 p90 -152.66 -169.16 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 48' ' ' VAL . . . -160.43 177.87 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -143.42 152.29 41.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 57' ' ' TYR . 43.5 t -136.29 131.63 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 44' ' ' VAL . 2.5 tp60 -118.27 110.76 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 55' ' ' VAL . 41.4 m-85 -87.67 170.14 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.87 -24.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -143.53 164.62 29.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ALA . 5.2 tm-20 -71.99 -49.72 34.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -46.06 -39.01 8.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 32.9 m120 -70.11 -36.13 74.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB1' HG23 ' A' ' 18' ' ' VAL . . . -60.41 -64.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HB2' HD11 ' A' ' 84' ' ' LEU . 34.1 ttm180 -47.55 -44.92 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 62' ' ' ASN . . . -40.6 -59.52 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' CB ' ' OH ' ' A' ' 57' ' ' TYR . . . -61.44 -51.75 67.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.836 HG22 HG13 ' A' ' 18' ' ' VAL . 78.4 t -43.42 -30.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.9 -34.17 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -82.98 -74.96 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 37' ' ' PHE . 1.5 mm-40 -42.87 -62.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.624 ' N ' HD12 ' A' ' 82' ' ' ILE . 29.8 t70 -39.87 117.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.66 21.26 9.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HE ' HD12 ' A' ' 75' ' ' ILE . 3.4 ttt85 -98.97 137.09 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 95.97 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -108.44 120.8 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 75' ' ' ILE . . . 77.79 7.7 2.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.18 -7.07 58.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.435 ' NE2' ' OD1' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -114.75 153.71 29.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.9 t -79.79 152.52 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD21 ' CG2' ' A' ' 75' ' ' ILE . 99.0 mt -106.02 129.26 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.75 100.73 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 71' ' ' ASP . 5.6 mt -110.6 156.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -164.73 140.14 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.816 ' HG ' HG21 ' A' ' 67' ' ' VAL . 1.2 mt -62.12 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 78.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . -170.54 -57.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.25 103.74 55.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 90' ' ' VAL . 18.2 Cg_endo -75.01 -7.68 19.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 39.47 36.45 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 88' ' ' PRO . 21.0 t -99.07 98.27 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 48.83 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.12 163.5 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 p -146.68 165.33 29.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.86 -117.79 4.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.63 41.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 m -160.49 -55.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.71 -58.46 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.993 . . . . . . . . 0 0 . 1 stop_ save_