data_1wgr_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 1wgr _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 ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.8 24.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -110.44 107.63 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.37 94.23 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.99 127.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -101.94 100.98 11.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.19 126.1 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 88.9 m-85 -98.12 144.1 27.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.3 t -106.39 150.67 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.18 -52.69 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -45.04 -45.09 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 133.93 -34.25 2.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 125.63 20.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.733 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 26.9 t -97.54 128.09 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.358 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -118.85 116.15 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.4 p -92.43 158.69 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.86 136.6 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.39 105.13 12.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.37 176.76 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -140.52 159.56 41.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.71 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.36 -51.42 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.2 128.97 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -92.11 -178.2 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 66' ' ' LEU . . . -65.78 -13.67 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -89.25 -35.69 16.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -58.35 -36.43 73.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 39' ' ' LEU . 55.0 t -70.2 -46.4 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 t -54.98 -46.31 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.67 -58.15 9.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmm -52.08 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CD1' HG13 ' A' ' 35' ' ' VAL . 95.5 mt -47.73 -64.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 28.0 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.68 -169.72 42.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD11 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mt -118.67 150.12 40.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 90' ' ' ARG . 72.2 t -136.9 115.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.7 pt-20 -74.23 129.07 37.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.13 144.02 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.262 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-70 -113.66 93.92 30.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.45 3.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.62 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.7 p-80 -166.23 -42.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.62 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -101.32 -3.64 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.78 46.63 22.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.86 161.22 17.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.81 109.85 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 3.7 ttp180 -116.43 138.68 51.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.12 138.57 14.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -115.36 156.09 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -171.69 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -77.49 -52.95 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -51.06 -28.21 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.577 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.6 136.82 56.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -94.82 115.82 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' GLN . 1.1 m -51.88 -40.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 60.5 t -65.87 -60.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -50.27 -39.35 44.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.06 -30.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.3 tt0 -74.22 -33.16 63.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -73.62 -18.21 61.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.98 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 49.9 m0 -47.15 139.45 7.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.98 -45.89 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.48 59.52 3.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.11 107.16 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.02 61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 21.7 m -57.65 154.43 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.504 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -152.31 171.68 17.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -107.26 150.14 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.6 t -130.92 143.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 5.8 t80 -104.19 116.38 32.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' CG ' HG22 ' A' ' 54' ' ' VAL . 3.2 ptm180 -150.16 146.58 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.03 19.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -103.12 110.89 23.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.01 92.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.41 131.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -105.5 103.87 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 t -97.38 135.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 89.3 m-85 -112.93 144.61 42.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -106.01 147.28 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.77 -51.55 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.64 -44.96 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.93 -27.06 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 114.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.05 155.26 18.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -166.99 137.61 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.2 m -118.99 159.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 13.7 m -136.14 146.23 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.0 108.8 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 35.6 m -126.13 172.61 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.79 155.9 48.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.35 -51.83 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.1 146.81 8.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -114.71 -175.38 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.34 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -85.7 -44.41 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -50.21 -50.42 49.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.6 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 39' ' ' LEU . 76.8 t -55.09 -54.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -46.78 -56.0 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.19 -52.17 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.511 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 36.5 mtp -55.91 -56.07 25.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 35' ' ' VAL . 80.1 mt -56.82 -55.97 27.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 91' ' ' LYS . 69.8 m95 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.31 -175.69 46.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.01 148.27 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 90' ' ' ARG . 86.4 t -136.55 114.08 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.7 pt-20 -72.34 127.59 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.6 m-70 -113.38 94.51 31.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 56.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.639 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.9 p-80 -167.39 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.639 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -103.14 -4.03 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.67 50.85 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.26 162.19 17.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -144.01 107.68 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.9 tpp180 -115.84 142.28 46.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -108.22 139.92 15.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -117.14 152.08 35.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -171.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.488 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -79.47 -52.77 7.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -52.36 -26.74 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.06 129.27 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -50.76 -41.82 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.9 t -64.5 -55.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.59 -40.91 69.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.22 -27.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -77.71 -32.36 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.51 -29.09 59.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.38 90.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 52.2 m0 -47.28 146.62 3.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.32 29.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.42 -54.15 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 51.29 4.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.35 80.94 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' SER . 1.2 m-20 -40.38 -55.17 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 36.3 m 54.6 167.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.958 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -171.53 168.47 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -102.76 138.87 39.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.5 t -120.93 134.87 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -94.41 117.48 30.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 54' ' ' VAL . 9.1 ptm180 -151.72 140.62 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -110.13 111.93 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.92 94.1 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -78.1 130.81 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -97.36 103.11 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -101.8 113.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 90.5 m-85 -89.74 139.68 30.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.5 t -102.66 151.47 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -56.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -44.26 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 132.67 -31.63 2.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.98 120.48 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.03 126.72 34.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.325 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -115.28 98.22 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 m -78.99 149.66 32.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' CG1' HD23 ' A' ' 39' ' ' LEU . 3.1 m -132.44 135.67 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.1 112.87 20.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.98 179.85 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -129.5 168.06 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 175.05 -38.36 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.96 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -113.58 -178.55 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -13.84 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -82.08 -46.05 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.11 -47.32 71.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.583 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 39' ' ' LEU . 73.0 t -60.15 -53.71 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -47.18 -49.35 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.0 -56.45 21.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.0 mmm -51.86 -56.96 10.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD1' HG11 ' A' ' 35' ' ' VAL . 93.1 mt -50.45 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 30.7 m95 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.07 -179.09 44.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 72' ' ' VAL . 7.0 mt -101.22 156.05 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG23 ' CG ' ' A' ' 90' ' ' ARG . 48.2 t -140.11 113.98 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.8 pt-20 -78.18 122.05 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.69 142.67 31.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.72 93.82 30.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.4 3.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.2 p-80 -166.4 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.634 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -5.34 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.88 52.32 9.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.62 158.97 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -144.96 111.16 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -115.99 146.28 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.15 88.89 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.12 155.33 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -167.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -49.07 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -59.87 -20.77 59.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.84 134.97 57.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.59 123.94 32.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 53' ' ' LEU . 2.3 m -58.78 -36.82 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.75 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.1 -36.76 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.9 t -80.77 -35.65 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -67.93 -38.47 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.79 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.21 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 85' ' ' SER . 53.1 m0 -46.57 145.9 2.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.88 34.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.18 -54.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.51 70.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.06 124.41 6.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.49 56.21 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB3' ' CE3' ' A' ' 79' ' ' TRP . 29.8 t -55.48 155.88 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -151.98 173.75 14.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -108.55 137.23 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.3 t80 -91.48 114.6 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' CG ' HG23 ' A' ' 54' ' ' VAL . 3.4 ptm85 -147.28 137.89 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 ptpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -97.27 112.47 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -90.59 91.92 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 26' ' ' VAL . 49.7 t -76.11 127.19 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -102.65 98.61 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.82 123.9 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 95.1 m-85 -99.03 139.73 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 p -98.21 145.47 26.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -42.83 -48.07 5.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 -46.64 60.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.13 -28.45 2.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.12 122.08 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.38 141.5 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -140.23 147.03 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p -126.29 149.41 49.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.445 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 12.6 m -134.93 141.99 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.63 109.79 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 30.4 m -133.93 163.34 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -131.67 158.98 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.92 -52.37 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.43 147.14 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -112.93 178.13 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.409 ' CB ' HD13 ' A' ' 66' ' ' LEU . . . -57.13 -26.1 59.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -74.57 -44.63 50.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -48.98 -52.13 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 39' ' ' LEU . 51.2 t -59.23 -51.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.4 t -48.42 -51.24 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.29 -52.95 63.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.23 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 mtp -53.86 -57.45 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 35' ' ' VAL . 39.0 mt -53.38 -59.57 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LEU . 38.7 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.76 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 21.4 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . . . -175.18 -167.07 33.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.2 mt -117.92 150.8 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.447 HG22 ' CG ' ' A' ' 90' ' ' ARG . 60.1 t -142.83 113.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 6.0 pt-20 -74.16 121.74 21.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.09 141.81 34.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 39.8 m-70 -113.28 93.98 28.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 57' ' ' HIS . 3.4 p-80 -166.21 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 109.636 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.16 -1.59 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.28 46.63 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 160.26 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.72 107.26 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 21.9 ttm180 -117.01 139.63 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.03 138.13 14.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.409 HD13 ' CB ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -113.24 152.76 29.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.56 -174.97 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -73.36 -54.01 9.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.64 -34.68 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.59 125.93 23.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.77 131.16 34.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 53' ' ' LEU . 2.4 m -63.05 -38.35 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.12 -57.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.1 t -81.38 -31.61 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.99 -35.01 66.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.04 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.6 m0 -47.82 140.87 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.97 -55.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.68 60.03 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.41 113.85 0.45 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.74 55.95 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 13.0 m -64.4 138.16 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 7.7 ptt180 -129.48 -175.63 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -117.79 111.88 19.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.21 134.63 39.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 9.7 t80 -97.1 121.06 38.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' CG ' HG22 ' A' ' 54' ' ' VAL . 8.7 ptm180 -149.11 146.09 27.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.77 107.96 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t -88.49 93.68 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.22 126.87 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -102.46 98.78 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 t -88.06 111.23 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 97.2 m-85 -83.25 138.43 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.94 44.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.22 50.01 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.22 54.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -57.56 143.12 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -146.81 116.01 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -80.7 154.48 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 3.7 m -142.55 142.29 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.74 106.38 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 ' CG1' ' HE1' ' A' ' 38' ' ' MET . 27.4 m -125.65 170.66 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.0 154.66 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.59 97.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.95 -53.0 0.38 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.53 156.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 p -123.64 179.94 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.12 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.1 tpt180 -79.35 -49.08 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.77 -54.86 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 39' ' ' LEU . 75.9 t -57.22 -55.89 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 32.3 t -45.92 -55.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 108.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.78 -52.02 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.47 ' HE1' ' CG1' ' A' ' 26' ' ' VAL . 19.0 mtp -56.28 -60.2 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 35' ' ' VAL . 76.7 mt -52.81 -52.57 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 36' ' ' CYS . 11.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.669 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 26.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.54 -176.65 46.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.4 mt -106.24 151.5 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 90' ' ' ARG . 54.5 t -138.15 116.89 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -76.36 116.11 16.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 144.28 27.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 38.1 m-70 -112.7 94.79 30.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.27 4.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.618 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 7.5 p-80 -167.18 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.618 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.89 -1.87 28.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.29 49.42 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.12 161.5 19.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -145.14 106.16 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -112.86 139.84 48.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -104.19 141.52 15.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -117.83 152.48 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -176.7 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -73.75 -55.48 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.94 128.19 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.0 122.7 31.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 53' ' ' LEU . 1.7 m -56.27 -38.69 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.22 -62.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.58 -39.17 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.32 -30.61 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.5 tt0 -73.75 -34.67 64.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.92 62.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 45.0 m0 -44.84 142.06 2.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.4 p -84.08 119.53 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.01 -46.56 1.07 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.128 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.22 111.61 3.37 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -76.17 57.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 34.8 m -58.96 142.94 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 8.5 ptt180 -132.27 172.28 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -108.59 113.69 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.0 t -100.0 130.61 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.669 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -91.47 118.88 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.492 ' CG ' HG21 ' A' ' 54' ' ' VAL . 3.7 ptm180 -146.94 146.17 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.55 24.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -104.07 107.14 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.4 t -85.06 92.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.7 t -70.78 133.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -107.56 98.66 8.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 39' ' ' LEU . 4.6 t -97.3 117.63 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 72.4 m-85 -94.17 146.46 23.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -108.39 146.19 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.57 -51.65 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -45.26 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.22 -29.56 2.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.44 103.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.47 121.42 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 108.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -107.86 161.83 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -132.01 146.59 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 39' ' ' LEU . 1.8 m -137.33 140.0 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.83 116.29 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.91 161.19 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.53 152.42 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 97.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.62 -47.31 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.15 151.47 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 p -118.86 -175.83 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -10.48 49.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -37.38 19.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -62.77 -56.09 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' LEU . 47.8 t -51.57 -60.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.51 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 47.1 t -43.33 -49.24 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.0 mm-40 -63.57 -36.9 85.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.8 mtp -73.48 -25.19 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' CD1' HG11 ' A' ' 14' ' ' VAL . 44.4 mt -89.9 -56.18 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 36' ' ' CYS . 33.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . 25.8 m95 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.58 -172.96 23.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 72' ' ' VAL . 6.2 mt -113.75 149.81 34.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 HG21 ' CG ' ' A' ' 90' ' ' ARG . 52.3 t -139.01 118.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.71 130.74 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.92 143.5 39.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.301 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -114.06 92.65 27.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.58 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.652 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.6 p-80 -166.23 -42.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.652 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.93 -3.67 27.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.83 51.69 13.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.55 162.93 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.85 107.68 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -118.33 141.4 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.32 130.13 10.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.33 160.3 14.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.96 -177.82 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -49.79 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -60.42 -26.23 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -50.96 131.27 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.406 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -77.16 108.53 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -46.75 -42.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.0 t -64.27 -64.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -48.02 -24.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 71' ' ' SER . 59.0 t -88.1 -43.15 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.494 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.7 pt20 -75.84 -7.52 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -86.75 -33.98 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.33 73.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -44.76 140.79 3.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.99 15.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.44 137.93 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.57 -44.44 2.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -39.7 -39.66 1.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 59.6 40.77 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 20.3 m -60.15 153.27 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.44 -175.81 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.94 141.03 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' VAL . 89.2 t -123.62 130.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 51' ' ' TRP . 7.9 t80 -91.4 117.5 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.481 ' CG ' HG21 ' A' ' 54' ' ' VAL . 8.2 ptm180 -151.81 145.13 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.24 7.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -111.83 107.58 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.97 91.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.49 127.96 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -98.77 98.53 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.22 130.26 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 91.5 m-85 -102.75 140.47 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 p -91.65 146.8 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 3.1 mt-10 -44.84 -39.67 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.16 -45.75 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.36 -25.2 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 113.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.86 124.39 32.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.41 164.54 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 159.57 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' CG1' HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -147.39 140.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -95.43 104.88 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 m -128.97 166.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -124.91 153.03 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 98.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 157.55 -51.12 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.41 139.91 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.91 179.05 4.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.61 -16.69 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tpt180 -81.6 -35.66 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -63.76 -46.92 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 39' ' ' LEU . 78.9 t -59.17 -46.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.17 -53.35 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.47 -55.37 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -61.17 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' CD1' HG13 ' A' ' 35' ' ' VAL . 72.4 mt -45.51 -55.62 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 12.0 m95 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.67 -175.97 34.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.3 mt -112.03 151.41 29.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.25 124.57 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -89.49 113.13 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.24 144.8 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -114.92 90.85 24.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.08 3.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.5 p-80 -166.08 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.682 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -100.63 -3.07 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.12 46.42 19.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.07 157.19 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.55 106.77 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -117.51 150.38 39.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.77 136.37 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.67 157.12 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.95 -171.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -85.28 -52.97 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -50.75 -24.4 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.96 132.3 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 115.09 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 53' ' ' LEU . 1.3 m -53.04 -39.25 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.62 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.78 -38.76 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -77.84 -32.72 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.97 -33.37 65.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.248 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.8 -33.16 58.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.6 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 43.6 m0 -58.61 147.9 68.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.75 36.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.5 -47.07 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.83 40.23 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ASP . . . -151.87 73.92 0.26 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLY . 0.5 OUTLIER -39.44 -57.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 19.4 m 58.44 155.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.31 172.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.31 120.37 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -101.62 153.48 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.3 t80 -112.17 113.25 25.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HG2' ' CG ' ' A' ' 17' ' ' GLU . 1.3 mtp180 -135.33 153.29 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.32 10.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -115.34 107.25 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.59 91.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 13' ' ' LYS . 94.3 t -75.28 140.91 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' N ' HG12 ' A' ' 12' ' ' VAL . 17.5 mtpt -117.78 99.34 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 22' ' ' ARG . 76.0 t -105.22 133.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 55.1 m-85 -100.51 141.66 33.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' GLY . 65.7 p -88.86 139.48 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CG ' ' NE ' ' A' ' 90' ' ' ARG . 5.2 mt-10 -44.09 -39.0 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.82 -42.48 90.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 139.77 -27.72 2.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -63.13 102.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.45 162.21 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 108.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -149.37 174.03 12.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 30.2 m -134.56 144.06 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.55 146.59 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.39 106.86 19.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 29.3 m -128.37 156.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.64 176.87 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 85.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.15 -52.52 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.25 136.93 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -105.23 -173.69 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.04 55.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -82.24 -48.1 11.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -45.76 -48.59 15.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' MET . 79.2 t -64.42 -58.32 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.6 t -42.78 -30.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.315 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' VAL . 3.2 mm-40 -81.67 -44.24 17.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.594 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 27.4 mtp -59.39 -50.95 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' NE ' ' A' ' 22' ' ' ARG . 14.2 mt -57.31 -58.62 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' LEU . 5.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.64 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 19.5 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.18 -159.85 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 72' ' ' VAL . 7.1 mt -121.57 152.52 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 23.7 t -140.59 113.35 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -78.75 117.92 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.56 145.12 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -112.8 94.5 29.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 7.2 p-80 -167.08 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.652 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.619 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.01 -2.22 30.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.74 47.99 21.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.78 161.81 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -144.93 109.82 5.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -120.41 144.3 48.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.34 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -112.6 137.63 14.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.82 153.79 26.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -176.17 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -70.35 -55.01 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -45.6 -41.1 9.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -49.55 126.44 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 119.66 26.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -51.31 -40.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.95 -63.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.71 -36.87 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.07 -34.34 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -71.06 -32.17 68.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.66 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.66 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 37.6 m0 -45.42 142.65 3.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.9 30.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.0 125.0 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.25 -69.5 0.53 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.19 126.35 36.0 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -76.72 57.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 22.6 m -51.05 142.56 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.41 165.38 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.17 164.44 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 24.5 t -143.15 143.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.64 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.0 t80 -102.78 113.92 27.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' NE ' ' CG ' ' A' ' 17' ' ' GLU . 78.9 mtt180 -134.29 164.91 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 1.2 ptpp? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -104.68 108.06 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.7 97.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.63 124.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.58 114.79 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 89' ' ' PHE . 38.1 t -113.01 105.62 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 21' ' ' CYS . 73.2 m-85 -84.32 159.55 20.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -116.6 153.51 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.964 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.57 -48.91 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -50.0 -45.66 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.68 -34.68 2.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.17 133.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . 30.3 p -94.23 130.95 40.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -134.23 112.2 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -104.82 156.96 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.34 145.43 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.27 114.42 21.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -138.54 169.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -134.61 160.08 39.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.6 -50.0 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.62 146.37 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 p -115.76 179.17 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.39 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.97 -42.55 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -55.02 -59.6 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' LEU . 59.5 t -44.27 -61.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 51' ' ' TRP . 42.7 t -43.12 -62.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.4 mm-40 -51.69 -39.58 58.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 79.3 mtp -68.87 -33.73 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' VAL . 85.6 mt -80.02 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 33.6 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 91' ' ' LYS . 29.9 m95 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.39 6.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 ' CG1' ' A' ' 72' ' ' VAL . 5.9 mt -130.61 149.89 52.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 90' ' ' ARG . 59.0 t -137.69 114.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.5 pt-20 -73.92 134.5 43.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.33 143.37 45.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -113.94 93.13 28.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 55.04 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.771 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.3 p-80 -165.7 -42.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.633 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -3.48 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.75 50.74 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.29 160.91 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.24 109.38 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.2 ttp180 -117.99 142.59 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.1 133.91 11.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.81 155.27 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -62.92 -172.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.61 -51.46 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -57.5 -22.53 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 136.79 34.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 74' ' ' GLU . 1.5 m -86.41 107.5 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -46.29 -40.7 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 78.2 t -64.9 -61.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' A' ' 71' ' ' SER . 3.1 mt-10 -48.01 -38.49 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -78.68 -33.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -71.45 -29.98 65.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.9 -29.03 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.42 96.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -42.69 147.17 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.19 35.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.53 69.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.0 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -91.35 132.3 11.21 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.96 58.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 58.8 m -52.78 153.13 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.14 167.89 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -104.69 147.11 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' VAL . 90.0 t -129.07 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.4 t80 -104.06 117.62 34.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.498 ' CG ' HG23 ' A' ' 54' ' ' VAL . 10.3 ptm180 -149.33 153.77 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -101.39 113.41 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.04 98.56 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.73 132.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -105.25 102.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -97.37 128.56 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 68.8 m-85 -100.69 147.64 25.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.44 148.51 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.94 -52.31 7.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -45.98 -41.75 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.93 -26.76 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 142.05 16.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.25 134.37 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.269 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -132.91 146.49 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 150.7 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 132.12 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 108.01 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.3 175.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -138.89 155.67 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.85 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 156.1 -47.61 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.07 137.96 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 p -103.41 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.79 65.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -78.44 -44.14 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 38' ' ' MET . 14.2 m80 -47.92 -50.53 26.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.7 t -57.78 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 15.0 t -43.62 -50.69 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.613 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -63.93 -43.05 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 1.4 mmm -66.73 -19.64 65.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.4 mt -91.86 -57.84 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.613 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 10.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 50.1 m95 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.91 -148.22 7.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.4 mt -132.68 150.38 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' CG ' ' A' ' 90' ' ' ARG . 77.7 t -136.87 113.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 pt-20 -74.19 124.55 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.92 143.4 33.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.47 93.87 29.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.641 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.4 p-80 -167.15 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.641 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.32 -3.07 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.03 47.16 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.21 162.35 16.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -144.1 108.82 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 32.9 ttm-85 -116.44 142.24 47.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.19 135.18 12.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.94 150.73 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.49 -176.83 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -73.41 -55.91 5.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -44.8 -34.87 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.24 124.27 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.52 116.59 20.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -49.97 -42.16 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' ALA . 61.7 t -65.33 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.94 -38.1 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.3 t -78.68 -32.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -73.38 -31.64 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.52 -32.51 60.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.22 77.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.7 m0 -47.22 148.78 1.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.81 30.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.4 t -96.92 66.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.68 -47.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -94.87 129.38 9.88 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.66 59.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 45.1 m -55.76 143.57 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.051 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -141.99 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -105.18 149.98 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' VAL . 98.5 t -131.02 143.81 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 11.5 t80 -104.61 118.7 37.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' CG ' HG22 ' A' ' 54' ' ' VAL . 2.0 ptm180 -154.81 152.23 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.34 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.45 107.18 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.3 t -88.28 95.3 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -82.4 127.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.93 107.5 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 39' ' ' LEU . 25.4 t -104.12 133.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 77.7 m-85 -112.58 138.08 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.423 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -90.11 140.55 29.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.31 -42.46 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -41.43 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 138.26 -27.56 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.32 124.18 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.51 147.03 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' NH2' ' OG ' ' A' ' 16' ' ' SER . 1.5 ptt180 -163.12 144.85 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -119.84 153.57 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 39' ' ' LEU . 5.5 m -127.67 144.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.13 105.85 16.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' CG1' ' HE1' ' A' ' 38' ' ' MET . 35.3 m -127.64 164.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.91 174.63 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.98 82.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.59 -51.04 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 144.26 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 p -107.97 -178.39 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.09 66.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.3 tpt180 -68.82 -46.45 68.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -45.43 -60.01 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' LEU . 36.8 t -45.1 -63.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 39' ' ' LEU . 18.2 t -41.53 -67.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.632 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 4.5 mm-40 -47.24 -45.5 23.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.442 ' HE1' ' CG1' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -66.83 -18.49 65.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.996 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' VAL . 98.5 mt -93.57 -59.29 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.632 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 2.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.626 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 58.5 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.89 -168.94 28.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.1 mt -113.93 151.08 32.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.64 115.55 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -81.34 121.44 26.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.35 145.33 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.349 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.9 m-70 -113.14 94.05 28.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 56.9 4.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 6.7 p-80 -167.75 -41.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.42 -2.2 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.28 47.97 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.82 161.95 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -145.28 108.56 4.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 15.6 tpp180 -117.7 150.84 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -115.99 136.04 12.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.86 155.15 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.94 -178.73 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.48 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -68.07 -54.97 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 18.5 p-80 -43.65 -46.55 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 5.9 mm-40 -43.52 130.98 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.65 113.23 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -46.64 -41.92 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' ALA . 56.5 t -65.13 -59.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.48 -39.0 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -78.52 -29.68 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -75.05 -31.5 61.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.65 -37.28 62.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.15 79.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 47.4 m0 -46.23 143.09 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.74 34.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.69 121.26 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.42 -34.9 5.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.76 -33.68 4.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 59.26 30.36 20.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.4 m -57.43 155.07 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -139.12 -179.01 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' A' ' 53' ' ' LEU . 6.5 m-85 -118.0 124.31 47.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -104.21 151.21 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.1 t80 -111.53 114.46 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -135.01 151.96 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 51' ' ' TRP . 3.6 ptpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -106.39 109.86 21.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -92.18 92.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.39 133.8 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -105.9 104.28 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.2 t -98.15 133.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 61.7 m-85 -109.25 143.04 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.75 147.0 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -39.64 -59.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -40.47 -45.0 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.27 -30.0 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.16 126.11 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.28 130.51 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -133.99 147.5 51.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 p -121.23 142.67 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' HD21 ' A' ' 39' ' ' LEU . 14.1 m -124.49 146.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.43 117.04 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.75 165.52 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -127.85 176.89 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.7 78.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.26 -49.29 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.1 146.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -112.95 177.25 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.07 -34.61 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -66.34 -46.34 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -45.99 -59.43 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.1 t -50.07 -60.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 40.6 t -41.93 -51.1 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 mm-40 -62.75 -42.44 99.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 88.1 mtp -66.91 -22.47 65.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.9 mt -88.79 -57.58 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 11.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.527 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 52.8 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.58 173.99 46.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 72' ' ' VAL . 5.6 mt -97.31 148.31 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 HG21 ' CG ' ' A' ' 90' ' ' ARG . 79.6 t -136.76 113.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.59 134.31 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.57 143.78 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.7 m-70 -113.9 93.42 29.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.1 p-80 -166.58 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.638 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.39 -3.14 29.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.23 49.15 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.88 158.53 24.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.96 109.9 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.8 tpp180 -116.42 138.79 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -101.02 145.0 16.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.64 151.51 44.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 15.1 mt-10 -77.0 -176.14 3.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -70.9 -54.95 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 35.8 p-80 -44.52 -43.04 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -43.58 134.36 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.11 110.83 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -45.61 -40.37 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.76 -63.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -48.11 -39.93 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -30.89 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -73.59 -34.25 64.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.32 -33.47 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.35 84.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.9 m0 -42.85 139.66 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p -93.34 120.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.7 -63.33 0.63 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.9 113.54 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.96 60.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 75.0 m -57.96 153.55 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.7 177.09 10.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -114.13 120.51 40.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.82 132.71 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.37 117.1 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.483 ' CG ' HG21 ' A' ' 54' ' ' VAL . 5.5 ptm180 -146.94 152.88 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.527 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 4.8 ptpt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.54 18.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -116.76 114.54 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.9 m -88.06 42.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.1 t -32.94 126.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.79 115.36 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 35' ' ' VAL . 37.6 t -110.97 88.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -59.17 145.55 42.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.3 m -113.26 146.39 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -42.24 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -43.13 78.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 105.58 18.67 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.14 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t 63.24 133.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -151.8 148.86 28.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' VAL . 48.8 m -122.23 146.5 47.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.953 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -128.66 131.38 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.8 105.96 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -124.57 163.48 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.82 155.95 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 99.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.99 -49.44 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 128.16 32.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -95.39 -178.76 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 66' ' ' LEU . . . -58.97 -16.76 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 4.4 tpt180 -84.94 -45.5 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -48.28 -46.77 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG1' HG22 ' A' ' 14' ' ' VAL . 55.3 t -58.79 -49.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -50.64 -47.74 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.45 -58.75 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.8 mmm -48.17 -59.28 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' CD1' HG13 ' A' ' 35' ' ' VAL . 46.4 mt -51.7 -57.67 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 57.9 m95 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.87 -136.05 2.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.18 157.78 44.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 90' ' ' ARG . 50.6 t -139.64 113.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 4.6 pt-20 -76.66 120.26 21.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.58 142.82 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 35.2 m-70 -112.77 94.92 31.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.567 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -75.04 57.94 4.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.697 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.9 p-80 -171.13 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.697 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -104.61 -1.66 26.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.69 51.38 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.11 161.75 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -145.75 108.26 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 5.4 tpm_? -115.41 140.92 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -103.27 92.91 0.96 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 2.0 pt? -61.92 142.84 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.17 -172.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -78.53 -53.11 7.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -52.02 -23.93 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.57 128.79 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.422 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -86.41 122.13 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 1.5 m -57.38 -38.39 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.09 -64.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -46.81 -36.76 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 71' ' ' SER . 79.3 t -80.5 -36.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -68.53 -34.97 76.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.1 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.19 66.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 48.4 m0 -58.69 144.05 80.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.04 32.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.68 -68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.55 58.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.33 -55.7 6.61 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 60.52 32.25 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 33.4 m -59.82 163.12 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 175.84 10.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.92 142.92 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.92 141.51 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.427 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 6.7 t80 -97.9 118.55 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CG ' HG21 ' A' ' 54' ' ' VAL . 5.8 ptm180 -157.22 147.19 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -113.96 107.1 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.7 t -89.14 91.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.72 128.85 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -98.06 100.86 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -95.8 127.35 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 98.5 m-85 -102.49 143.47 32.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -93.45 138.46 31.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.87 -27.22 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -69.65 -34.41 73.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.7 -16.69 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.5 161.78 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -136.46 110.77 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.27 157.4 21.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.8 m -128.78 163.48 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG1' HD22 ' A' ' 39' ' ' LEU . 2.3 m -147.78 136.59 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.7 104.03 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -133.84 175.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.06 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.98 76.16 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.37 144.52 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 67.1 p -106.2 -178.0 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 53' ' ' LEU . . . -53.21 -58.88 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.0 tmm_? -45.46 -57.39 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -38.99 -41.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 39' ' ' LEU . 55.8 t -71.85 -47.89 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 t -51.51 -45.59 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -61.32 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.84 -51.49 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 24' ' ' VAL . 79.0 mt -57.38 -39.09 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' ' HB3' ' A' ' 91' ' ' LYS . 61.2 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.03 -179.65 48.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 32' ' ' ALA . 5.8 mt -102.28 157.35 16.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 88' ' ' VAL . 22.9 t -139.43 113.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -73.79 104.37 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.02 142.99 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.85 94.4 33.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.5 Cg_endo -74.98 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.2 p-80 -166.82 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.634 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.38 -4.16 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.41 53.01 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.59 160.79 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -145.24 111.33 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.7 tpp180 -120.05 143.54 48.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -109.6 137.22 14.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -109.05 169.57 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.03 -170.62 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.9 p-10 -79.68 -20.39 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -83.82 1.5 42.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 5.9 mm-40 -99.73 118.28 35.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 112.44 14.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -49.01 -42.51 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 12.6 t -62.41 -59.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.85 -40.3 55.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.9 t -76.07 -28.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -77.83 -30.07 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.89 -29.53 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.67 -24.58 59.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 24.4 m0 -48.53 148.49 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.14 31.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.28 139.42 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.75 -57.81 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.14 117.19 8.27 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 21.7 m-20 -81.05 54.46 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 7.6 m -54.55 136.65 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 9.5 ptt180 -126.9 176.15 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -108.22 111.47 23.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' VAL . 6.7 t -99.98 131.26 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.8 t80 -91.76 115.01 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -133.06 148.27 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 2.6 ptpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.15 11.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.02 109.51 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -88.75 92.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.56 128.28 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -101.43 128.55 47.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 89' ' ' PHE . 24.4 t -125.04 134.15 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 87.7 m-85 -111.81 141.66 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -99.71 151.87 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -46.64 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.46 -43.54 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.88 -31.49 2.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.71 137.86 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.0 p -105.17 146.18 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.235 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -144.97 141.24 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -126.95 155.33 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.433 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 4.2 m -138.1 137.86 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.55 106.13 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.25 164.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -101.62 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -171.41 -39.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 143.73 22.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 68.0 p -108.9 -172.9 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 35' ' ' VAL . . . -55.95 -59.57 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tmm_? -45.81 -55.99 5.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -41.03 -41.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 39' ' ' LEU . 46.0 t -72.22 -43.2 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.2 t -56.29 -48.47 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.89 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.433 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -50.11 -56.06 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 HD13 ' CG1' ' A' ' 35' ' ' VAL . 48.6 mt -52.76 -39.97 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 25.4 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.53 -152.52 6.9 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 32' ' ' ALA . 5.1 mt -125.72 147.69 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 90' ' ' ARG . 70.2 t -136.66 113.75 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.63 130.03 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 88' ' ' VAL . 1.3 m -108.28 144.4 35.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.66 93.59 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.46 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 55.88 4.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.9 p-80 -167.02 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.645 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.69 -3.36 26.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.31 51.12 14.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.45 163.57 16.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -145.04 108.64 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -116.46 141.9 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.0 154.02 17.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -129.84 161.41 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -90.51 -170.91 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.6 p30 -79.59 -23.79 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 47.4 p-80 -79.15 -9.97 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.548 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 8.3 mm-40 -84.72 120.29 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.01 119.02 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -53.7 -41.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.4 t -64.15 -54.05 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.1 -42.58 73.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.41 -28.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -75.97 -33.34 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.0 -25.51 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -36.85 76.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -46.43 143.1 4.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.19 31.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.5 66.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.23 -45.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.33 136.74 13.16 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -81.17 54.01 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.2 m -51.22 145.42 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -147.0 169.5 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -103.07 123.55 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.422 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 55.0 t -101.5 150.7 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 3.3 t80 -110.84 114.74 28.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 54' ' ' VAL . 2.2 ptm180 -145.19 159.16 43.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.12 23.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.75 109.81 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -88.19 93.89 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -75.08 129.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -103.99 101.84 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.95 126.41 48.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 96.2 m-85 -99.06 142.75 30.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLY . 13.8 p -102.99 148.28 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.46 -49.57 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -43.36 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.49 -24.88 3.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.82 114.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.17 123.82 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.96 148.91 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -124.77 151.53 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.63 136.83 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.79 119.71 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.8 m -145.97 174.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.62 175.69 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 66.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.01 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.33 157.63 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.777 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 p -120.61 -177.02 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.4 -9.96 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.6 tpt180 -86.41 -41.87 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -55.6 -59.67 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LEU . 52.9 t -50.08 -62.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' VAL . 50.0 t -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.599 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -59.69 -44.22 93.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 83.9 mtp -61.61 -30.75 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 73.2 mt -82.14 -64.84 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.599 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 18.7 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 9.9 m95 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.34 -169.81 29.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 72' ' ' VAL . 7.6 mt -109.86 153.58 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 90' ' ' ARG . 82.0 t -141.18 114.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.9 pt-20 -72.75 117.83 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.64 143.19 31.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.5 m-70 -112.96 94.93 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 56.77 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 7.0 p-80 -167.87 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.87 -1.26 29.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.15 47.19 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 162.06 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -145.79 107.6 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.6 ttp85 -116.73 138.01 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.94 131.95 10.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.39 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.49 -173.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -85.83 -53.08 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -49.25 -32.57 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.49 127.04 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.76 107.08 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -40.59 -44.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.6 t -62.06 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -46.92 -25.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -86.75 -41.77 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.02 -5.53 51.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -97.49 -23.94 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -27.53 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 38.7 m0 -43.63 146.71 0.92 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.37 31.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -83.46 107.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.76 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.89 103.62 1.17 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.69 59.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -60.95 152.37 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 15' ' ' TYR . 8.7 ptt180 -136.38 176.16 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -110.05 113.31 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.8 129.79 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.535 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 2.6 t80 -91.61 115.28 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' CG ' HG23 ' A' ' 54' ' ' VAL . 2.7 ptm85 -144.7 160.64 40.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.59 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.09 15.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.29 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.13 93.63 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.24 130.48 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -105.04 105.02 14.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.26 133.18 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 52.1 m-85 -102.19 146.48 27.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -104.64 145.14 30.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.47 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.58 -46.05 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 137.94 -27.56 2.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 126.79 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.24 129.24 46.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -137.61 146.19 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -130.38 160.51 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' HD22 ' A' ' 39' ' ' LEU . 15.7 m -137.48 151.0 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.75 113.2 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' CG1' ' HE3' ' A' ' 38' ' ' MET . 32.8 m -132.4 176.95 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -142.85 154.61 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 161.39 -51.92 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.01 155.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -120.49 178.15 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -21.32 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -76.27 -44.38 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -51.29 -57.97 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.65 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 39' ' ' LEU . 72.3 t -55.57 -52.86 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 52.5 m -47.46 -40.6 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 8.7 mm-40 -75.76 -43.49 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.401 ' HE3' ' CG1' ' A' ' 26' ' ' VAL . 84.0 mtp -63.65 -23.36 67.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 35' ' ' VAL . 70.8 mt -87.65 -60.47 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 13.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.598 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 12.3 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.2 -178.1 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 72' ' ' VAL . 7.4 mt -105.77 151.61 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG23 ' CG ' ' A' ' 90' ' ' ARG . 73.8 t -136.72 113.45 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 4.5 pt-20 -73.28 133.45 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.59 142.3 46.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.4 m-70 -114.76 94.06 35.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.74 4.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.695 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.0 p-80 -168.38 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.06 -3.45 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.81 49.93 19.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.69 159.14 20.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -144.86 107.54 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -119.43 143.34 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -107.1 138.7 14.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.38 150.04 37.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -173.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -73.39 -54.28 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -48.04 -34.09 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 126.08 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.91 125.8 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 53' ' ' LEU . 2.0 m -58.53 -38.39 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.58 -62.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.58 -37.19 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.32 -34.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -69.52 -34.29 74.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.77 62.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.23 77.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.555 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.9 m0 -50.19 150.94 3.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.61 117.87 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.77 -63.18 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 165.18 22.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -95.66 41.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.555 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 18.5 p -39.73 152.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.567 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -166.98 174.34 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -107.04 163.83 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' VAL . 70.0 t -137.71 152.15 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -116.46 114.69 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.491 ' CG ' HG23 ' A' ' 54' ' ' VAL . 5.1 ptm180 -149.6 160.5 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.598 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.75 6.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -110.95 123.81 50.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.4 m -87.82 40.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.0 t -29.91 121.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.78 110.77 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 89' ' ' PHE . 10.2 t -102.38 94.15 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 57.5 m-85 -66.61 146.83 54.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 25.6 p -116.52 144.99 43.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.09 -41.78 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -45.26 81.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 121.49 -13.23 9.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.87 -59.7 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 47.5 t 68.31 129.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -121.56 165.3 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -132.05 135.17 46.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.64 132.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -85.16 104.25 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 156.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -79.74 1.72 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' ALA . . . 89.23 -38.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -23.08 53.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.35 175.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -127.26 -169.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.59 -31.71 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.55 -47.72 71.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.39 -62.25 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -47.95 -48.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.2 t -53.42 -56.12 19.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.14 -45.76 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.6 mtp -61.61 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.3 -52.55 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 71.0 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.46 37.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD13 ' CG1' ' A' ' 72' ' ' VAL . 6.5 mt -100.28 150.82 22.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 HG21 ' CG ' ' A' ' 90' ' ' ARG . 77.6 t -136.65 114.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' OE2' ' NE ' ' A' ' 64' ' ' ARG . 2.4 pt-20 -77.63 126.75 31.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.47 145.15 36.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 48.1 m-70 -116.11 93.17 37.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.35 3.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.628 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.8 p-80 -166.07 -42.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.628 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.38 -2.66 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.81 49.97 16.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.12 159.74 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -145.15 107.48 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NE ' ' OE2' ' A' ' 55' ' ' GLU . 17.3 ttp180 -116.82 147.68 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.7 130.92 9.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.85 155.0 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.25 173.1 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -65.22 -59.59 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.431 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 28.4 p-80 -40.91 -44.38 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 6.2 mm-40 -49.95 127.88 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.38 116.59 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -43.72 -44.81 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.4 t -65.28 -63.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -46.9 -24.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.7 t -88.2 -44.65 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.97 -4.77 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -90.3 -23.43 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.78 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.8 m0 -45.97 137.99 5.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.44 146.06 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -53.78 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 121.62 25.96 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.04 51.87 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 16.4 m -49.03 160.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -164.02 170.77 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -104.47 152.09 22.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' VAL . 59.2 t -135.99 128.48 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.9 t80 -91.37 118.33 30.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.481 ' CG ' HG21 ' A' ' 54' ' ' VAL . 8.4 ptm180 -151.0 141.86 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.571 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 1.2 ptpt . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -112.77 116.83 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.7 m -90.17 35.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' VAL . 12.9 t -31.91 131.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -100.7 128.79 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -119.45 103.87 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 84.5 m-85 -80.35 144.18 32.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.05 150.01 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.66 -45.61 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -44.1 76.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.75 -27.46 3.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.99 116.75 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.774 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.48 146.4 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 2.7 ptm85 -147.75 147.55 30.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 p -115.69 147.84 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -131.95 128.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.33 111.63 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.69 148.13 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -92.75 172.56 8.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.94 64.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -159.38 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 159.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 p -127.07 -173.13 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 -9.71 47.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.59 20.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -67.27 -57.6 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 39' ' ' LEU . 73.3 t -48.26 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 46.5 t -42.18 -39.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 5.3 mm-40 -78.15 -43.35 29.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmm -63.01 -21.72 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 35' ' ' VAL . 56.0 mt -89.91 -62.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 54.9 m95 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.49 -153.0 9.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 72' ' ' VAL . 6.8 mt -128.92 151.56 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 HG23 ' CG ' ' A' ' 90' ' ' ARG . 50.9 t -138.65 116.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.77 125.75 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.48 144.08 36.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.6 m-70 -113.88 93.35 28.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.647 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.1 p-80 -167.63 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.34 -4.92 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.2 51.26 12.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.29 158.96 25.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -144.95 107.8 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -116.72 137.05 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.82 132.69 11.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.29 154.59 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.67 -170.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -49.74 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -57.82 -25.35 60.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.86 134.57 51.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -82.67 108.86 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -45.27 -44.16 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.6 t -62.37 -41.16 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.1 mt-10 -69.95 -29.3 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.8 t -84.73 -28.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.6 pt20 -89.11 -20.79 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.22 -32.23 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.02 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -43.02 137.71 2.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 108.04 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.37 20.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.08 -38.45 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.75 59.68 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.24 120.94 0.78 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.26 53.63 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 71.6 m -55.37 147.28 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.71 -179.26 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.74 149.24 38.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -132.02 131.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 7.8 t80 -92.33 116.3 28.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.483 ' CG ' HG23 ' A' ' 54' ' ' VAL . 8.1 ptm180 -151.96 149.79 29.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.01 9.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -91.37 114.79 27.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.5 m -89.62 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 11' ' ' VAL . 18.6 t -29.79 125.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 3.1 mtpp -99.91 115.72 30.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 39' ' ' LEU . 34.3 t -107.95 98.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 59.0 m-85 -67.42 151.2 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -114.41 149.57 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.86 -44.13 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -54.69 -40.61 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 131.86 -32.21 2.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 118.77 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 21' ' ' CYS . 30.1 p -99.3 110.01 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -104.25 157.28 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HB3' ' CG ' ' A' ' 13' ' ' LYS . 3.3 p -132.09 137.57 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 ' CG1' HD23 ' A' ' 39' ' ' LEU . 3.1 m -119.37 131.39 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -81.57 104.51 12.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 30' ' ' ALA . 5.9 m -130.05 155.65 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -90.28 171.68 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 65.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -164.71 -41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . . . -46.61 153.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.0 p -124.38 161.75 25.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' CA ' HG12 ' A' ' 72' ' ' VAL . . . -38.69 -39.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 3.4 tmm_? -51.32 -69.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ARG . 27.7 m80 -38.47 -57.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 39' ' ' LEU . 59.4 t -44.16 -49.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' ARG . 46.1 t -54.21 -55.62 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.81 -53.47 48.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtm -56.27 -58.57 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 14' ' ' VAL . 94.1 mt -52.7 -59.72 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.512 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 45.7 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.66 -141.84 4.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.152 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 72' ' ' VAL . 7.4 mt -139.38 154.29 47.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG23 ' CG ' ' A' ' 90' ' ' ARG . 89.2 t -141.57 113.44 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.05 125.45 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.1 144.51 32.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 46.4 m-70 -115.43 92.97 34.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.4 p-80 -166.58 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.94 -2.95 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.57 52.34 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.9 160.76 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -145.12 107.54 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 1.6 ttp180 -115.2 139.8 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.73 145.82 15.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 155.22 43.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.19 -171.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -84.65 -41.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -64.44 -18.03 64.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.6 OUTLIER -80.12 112.17 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG1' HD13 ' A' ' 53' ' ' LEU . 1.6 m -53.59 -41.47 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 19.4 t -63.97 -63.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.32 -23.09 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 71' ' ' SER . 67.8 t -88.35 -31.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.8 pt20 -88.95 -6.47 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.93 -23.05 29.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.74 -28.01 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 46.6 m0 -43.72 139.86 2.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.48 133.84 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.41 -63.86 0.35 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.12 145.42 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.36 43.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 2.1 m -45.75 144.79 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.12 -178.35 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -115.27 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -125.45 149.55 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.454 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 12.7 t80 -112.31 114.84 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.448 ' CG ' HG23 ' A' ' 54' ' ' VAL . 2.6 ptm180 -152.34 152.43 32.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.63 99.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -141.08 120.53 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.36 76.76 0.16 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.51 128.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.84 116.03 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.57 -83.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -67.1 156.05 88.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.8 24.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -110.44 107.63 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.37 94.23 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.99 127.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -101.94 100.98 11.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -98.19 126.1 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 88.9 m-85 -98.12 144.1 27.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.3 t -106.39 150.67 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.18 -52.69 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -45.04 -45.09 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 133.93 -34.25 2.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 125.63 20.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.733 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 26.9 t -97.54 128.09 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.358 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -118.85 116.15 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.4 p -92.43 158.69 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.86 136.6 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.39 105.13 12.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.37 176.76 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -140.52 159.56 41.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.71 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.36 -51.42 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.2 128.97 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -92.11 -178.2 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 66' ' ' LEU . . . -65.78 -13.67 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -89.25 -35.69 16.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -58.35 -36.43 73.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 39' ' ' LEU . 55.0 t -70.2 -46.4 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 t -54.98 -46.31 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.67 -58.15 9.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmm -52.08 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CD1' HG13 ' A' ' 35' ' ' VAL . 95.5 mt -47.73 -64.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -40.56 -62.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.0 162.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -58.23 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -66.03 139.52 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.96 -76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . 51.51 93.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.59 -60.27 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.77 -51.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.27 177.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.56 172.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -64.39 -55.92 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 28.0 m95 63.64 -173.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.68 -169.72 42.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD11 ' CG1' ' A' ' 72' ' ' VAL . 6.0 mt -118.67 150.12 40.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 93' ' ' PHE . 72.2 t -136.9 115.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.7 pt-20 -74.23 129.07 37.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.13 144.02 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.262 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-70 -113.66 93.92 30.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.45 3.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.62 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.7 p-80 -166.23 -42.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.62 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -101.32 -3.64 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.78 46.63 22.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.86 161.22 17.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.81 109.85 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 3.7 ttp180 -116.43 138.68 51.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.12 138.57 14.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -115.36 156.09 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -171.69 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -77.49 -52.95 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -51.06 -28.21 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.577 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.6 136.82 56.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m -94.82 115.82 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' GLN . 1.1 m -51.88 -40.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 60.5 t -65.87 -60.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -50.27 -39.35 44.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -78.06 -30.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.3 tt0 -74.22 -33.16 63.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -73.62 -18.21 61.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.98 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 49.9 m0 -47.15 139.45 7.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.98 -45.89 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.48 59.52 3.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.11 107.16 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.02 61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 21.7 m -57.65 154.43 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.504 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -152.31 171.68 17.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -107.26 150.14 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.6 t -130.92 143.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 5.8 t80 -104.19 116.38 32.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' CG ' HG22 ' A' ' 54' ' ' VAL . 3.2 ptm180 -150.16 146.58 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -102.84 -16.27 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -122.17 106.34 11.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 54' ' ' VAL . 40.7 t80 179.78 92.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -175.44 -170.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 t -127.44 107.88 10.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.94 130.81 7.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 p -142.96 -58.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m 56.67 107.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -59.26 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -84.65 92.36 8.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.27 150.38 9.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.92 81.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.052 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.76 146.49 31.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.59 140.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.59 76.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.03 19.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -103.12 110.89 23.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.01 92.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.41 131.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -105.5 103.87 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 t -97.38 135.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 89.3 m-85 -112.93 144.61 42.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -106.01 147.28 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.77 -51.55 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.64 -44.96 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.93 -27.06 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 114.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.05 155.26 18.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -166.99 137.61 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.2 m -118.99 159.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 13.7 m -136.14 146.23 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.0 108.8 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 35.6 m -126.13 172.61 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.79 155.9 48.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.35 -51.83 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.1 146.81 8.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -114.71 -175.38 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.34 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -85.7 -44.41 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -50.21 -50.42 49.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.6 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 39' ' ' LEU . 76.8 t -55.09 -54.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -46.78 -56.0 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.19 -52.17 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.511 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 36.5 mtp -55.91 -56.07 25.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 35' ' ' VAL . 80.1 mt -56.82 -55.97 27.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 t -47.68 -57.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.4 157.24 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.74 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.76 -62.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -64.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.615 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 61.95 87.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 67.51 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 168.1 9.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.32 -50.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 51' ' ' TRP . 3.6 mm-40 -45.22 163.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.9 m -70.98 -51.49 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 91' ' ' LYS . 69.8 m95 63.78 168.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 107.981 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.31 -175.69 46.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.01 148.27 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 90' ' ' ARG . 86.4 t -136.55 114.08 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.7 pt-20 -72.34 127.59 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.6 m-70 -113.38 94.51 31.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 56.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.639 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.9 p-80 -167.39 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.639 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -103.14 -4.03 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.67 50.85 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.26 162.19 17.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -144.01 107.68 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.9 tpp180 -115.84 142.28 46.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -108.22 139.92 15.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -117.14 152.08 35.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -171.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.488 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -79.47 -52.77 7.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -52.36 -26.74 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.06 129.27 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -50.76 -41.82 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.9 t -64.5 -55.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.59 -40.91 69.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.22 -27.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -77.71 -32.36 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.51 -29.09 59.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.38 90.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 52.2 m0 -47.28 146.62 3.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.32 29.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.42 -54.15 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 51.29 4.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.35 80.94 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' SER . 1.2 m-20 -40.38 -55.17 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 36.3 m 54.6 167.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.958 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -171.53 168.47 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -102.76 138.87 39.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.5 t -120.93 134.87 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -94.41 117.48 30.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 54' ' ' VAL . 9.1 ptm180 -151.72 140.62 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -94.95 176.69 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 40.33 30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 93' ' ' PHE . 6.8 p90 -90.06 35.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -124.57 -59.77 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.1 t -112.78 129.58 56.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.03 -84.59 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.51 43.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 m -125.18 167.48 14.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.1 t -144.33 -57.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.92 -58.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -74.33 141.32 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.14 103.54 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -178.05 103.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -165.83 -46.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.68 107.6 0.65 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.22 155.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -110.13 111.93 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.92 94.1 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -78.1 130.81 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -97.36 103.11 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -101.8 113.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.425 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 90.5 m-85 -89.74 139.68 30.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.5 t -102.66 151.47 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -56.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -44.26 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 132.67 -31.63 2.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.98 120.48 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.03 126.72 34.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.325 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -115.28 98.22 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 m -78.99 149.66 32.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' CG1' HD23 ' A' ' 39' ' ' LEU . 3.1 m -132.44 135.67 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.1 112.87 20.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.98 179.85 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -129.5 168.06 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 175.05 -38.36 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.96 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -113.58 -178.55 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -13.84 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -82.08 -46.05 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.11 -47.32 71.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.583 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 39' ' ' LEU . 73.0 t -60.15 -53.71 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -47.18 -49.35 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.0 -56.45 21.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.0 mmm -51.86 -56.96 10.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD1' HG11 ' A' ' 35' ' ' VAL . 93.1 mt -50.45 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 t -42.7 -62.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -40.33 111.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.52 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.71 174.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -40.37 124.97 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.03 -53.16 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt 63.1 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.84 139.58 55.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.62 -51.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -107.44 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -115.83 156.05 26.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 30.7 m95 -143.13 174.47 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.07 -179.09 44.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 72' ' ' VAL . 7.0 mt -101.22 156.05 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG23 ' CG ' ' A' ' 90' ' ' ARG . 48.2 t -140.11 113.98 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.8 pt-20 -78.18 122.05 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.69 142.67 31.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.72 93.82 30.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.462 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.4 3.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.2 p-80 -166.4 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.634 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -5.34 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.88 52.32 9.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.62 158.97 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -144.96 111.16 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -115.99 146.28 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 93' ' ' PHE . . . -109.15 88.89 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -57.12 155.33 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -167.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -49.07 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -59.87 -20.77 59.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.84 134.97 57.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.59 123.94 32.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 53' ' ' LEU . 2.3 m -58.78 -36.82 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.75 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.1 -36.76 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.9 t -80.77 -35.65 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -67.93 -38.47 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.79 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.21 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 85' ' ' SER . 53.1 m0 -46.57 145.9 2.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.88 34.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.18 -54.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.51 70.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.06 124.41 6.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.49 56.21 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB3' ' CE3' ' A' ' 79' ' ' TRP . 29.8 t -55.48 155.88 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -151.98 173.75 14.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -108.55 137.23 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.3 t80 -91.48 114.6 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' CG ' HG23 ' A' ' 54' ' ' VAL . 3.4 ptm85 -147.28 137.89 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 ptpt -85.72 -27.49 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -116.94 83.71 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CE2' ' HA3' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -107.85 137.93 45.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 46.29 77.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.14 163.55 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.76 -139.35 9.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.35 9.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m 44.68 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -58.39 159.37 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -89.13 -57.37 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.86 162.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 75.87 2.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -167.77 119.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m 41.21 91.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.92 -86.66 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.85 156.93 0.24 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -97.27 112.47 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -90.59 91.92 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 26' ' ' VAL . 49.7 t -76.11 127.19 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -102.65 98.61 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -90.82 123.9 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 95.1 m-85 -99.03 139.73 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 p -98.21 145.47 26.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -42.83 -48.07 5.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 -46.64 60.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.13 -28.45 2.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.12 122.08 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.38 141.5 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -140.23 147.03 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p -126.29 149.41 49.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.445 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 12.6 m -134.93 141.99 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.63 109.79 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 30.4 m -133.93 163.34 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -131.67 158.98 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.92 -52.37 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.43 147.14 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -112.93 178.13 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.409 ' CB ' HD13 ' A' ' 66' ' ' LEU . . . -57.13 -26.1 59.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -74.57 -44.63 50.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -48.98 -52.13 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 39' ' ' LEU . 51.2 t -59.23 -51.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.4 t -48.42 -51.24 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.29 -52.95 63.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.23 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 mtp -53.86 -57.45 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 35' ' ' VAL . 39.0 mt -53.38 -59.57 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 38.7 t -40.03 -59.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 16.6 mt-30 -165.38 169.12 16.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.67 52.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.93 -59.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.44 -65.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 56.96 -172.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp 61.71 62.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -176.37 175.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 52.7 175.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.4 tp10 -42.42 149.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 17.7 m -66.86 -37.12 83.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.76 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 21.4 m95 65.6 -178.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . . . -175.18 -167.07 33.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.2 mt -117.92 150.8 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG22 ' CG ' ' A' ' 90' ' ' ARG . 60.1 t -142.83 113.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 6.0 pt-20 -74.16 121.74 21.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.09 141.81 34.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 39.8 m-70 -113.28 93.98 28.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 57' ' ' HIS . 3.4 p-80 -166.21 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 109.636 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.16 -1.59 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.28 46.63 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 160.26 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.72 107.26 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 21.9 ttm180 -117.01 139.63 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.03 138.13 14.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.409 HD13 ' CB ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -113.24 152.76 29.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.56 -174.97 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -73.36 -54.01 9.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.64 -34.68 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.59 125.93 23.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.77 131.16 34.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 53' ' ' LEU . 2.4 m -63.05 -38.35 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.12 -57.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.1 t -81.38 -31.61 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.99 -35.01 66.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.04 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.6 m0 -47.82 140.87 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.97 -55.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.68 60.03 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.41 113.85 0.45 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.74 55.95 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 13.0 m -64.4 138.16 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 7.7 ptt180 -129.48 -175.63 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -117.79 111.88 19.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.21 134.63 39.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 9.7 t80 -97.1 121.06 38.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' CG ' HG22 ' A' ' 54' ' ' VAL . 8.7 ptm180 -149.11 146.09 27.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -100.64 175.83 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' LYS . 17.7 m-20 38.76 30.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 1.6 p90 -78.3 163.3 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.534 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . . . 72.86 -77.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.24 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.7 150.9 10.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 t -153.75 116.37 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.91 130.67 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 58.58 92.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.944 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -153.12 144.99 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.78 -102.03 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -55.09 38.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.9 92.76 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.06 -101.96 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -58.25 150.57 52.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.77 107.96 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t -88.49 93.68 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.22 126.87 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -102.46 98.78 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 t -88.06 111.23 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 97.2 m-85 -83.25 138.43 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.94 44.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.22 50.01 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.22 54.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -57.56 143.12 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -146.81 116.01 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -80.7 154.48 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 3.7 m -142.55 142.29 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.74 106.38 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 ' CG1' ' HE1' ' A' ' 38' ' ' MET . 27.4 m -125.65 170.66 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.0 154.66 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.59 97.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.95 -53.0 0.38 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.53 156.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 p -123.64 179.94 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.12 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.1 tpt180 -79.35 -49.08 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.77 -54.86 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 39' ' ' LEU . 75.9 t -57.22 -55.89 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 32.3 t -45.92 -55.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 108.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.78 -52.02 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.47 ' HE1' ' CG1' ' A' ' 26' ' ' VAL . 19.0 mtp -56.28 -60.2 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 35' ' ' VAL . 76.7 mt -52.81 -52.57 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 36' ' ' CYS . 11.1 t -41.31 -49.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 8.8 pt20 -173.22 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 168.35 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.15 19.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 53.74 101.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.91 174.43 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.0 140.38 30.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 77.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -175.42 146.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.8 105.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.3 p -85.97 149.08 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.669 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 26.7 m95 -138.84 170.97 15.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.54 -176.65 46.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.4 mt -106.24 151.5 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 90' ' ' ARG . 54.5 t -138.15 116.89 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -76.36 116.11 16.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 144.28 27.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 38.1 m-70 -112.7 94.79 30.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.27 4.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.618 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 7.5 p-80 -167.18 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.618 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.89 -1.87 28.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.29 49.42 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.12 161.5 19.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -145.14 106.16 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -112.86 139.84 48.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -104.19 141.52 15.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -117.83 152.48 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -176.7 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -73.75 -55.48 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.94 128.19 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.0 122.7 31.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 53' ' ' LEU . 1.7 m -56.27 -38.69 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.22 -62.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.58 -39.17 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.32 -30.61 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.5 tt0 -73.75 -34.67 64.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.92 62.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 45.0 m0 -44.84 142.06 2.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.4 p -84.08 119.53 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.01 -46.56 1.07 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.128 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.22 111.61 3.37 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -76.17 57.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 34.8 m -58.96 142.94 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 8.5 ptt180 -132.27 172.28 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -108.59 113.69 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.0 t -100.0 130.61 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.669 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -91.47 118.88 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' CG ' HG21 ' A' ' 54' ' ' VAL . 3.7 ptm180 -146.94 146.17 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -98.93 -21.48 16.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -122.8 95.29 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -146.78 -52.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -169.46 -50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -84.53 80.08 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.1 -89.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.81 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 t 60.14 117.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.74 91.51 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.12 164.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 m 62.82 124.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.17 -92.17 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.86 109.37 1.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -137.04 154.81 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.9 -112.39 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.44 152.63 55.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.55 24.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -104.07 107.14 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.4 t -85.06 92.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.7 t -70.78 133.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -107.56 98.66 8.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 39' ' ' LEU . 4.6 t -97.3 117.63 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 72.4 m-85 -94.17 146.46 23.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -108.39 146.19 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.57 -51.65 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -45.26 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.22 -29.56 2.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.44 103.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.47 121.42 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 108.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -107.86 161.83 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -132.01 146.59 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 39' ' ' LEU . 1.8 m -137.33 140.0 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.83 116.29 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.91 161.19 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.53 152.42 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 97.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.62 -47.31 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.15 151.47 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 p -118.86 -175.83 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -10.48 49.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -37.38 19.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -62.77 -56.09 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' LEU . 47.8 t -51.57 -60.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.51 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 47.1 t -43.33 -49.24 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.0 mm-40 -63.57 -36.9 85.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.8 mtp -73.48 -25.19 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' CD1' HG11 ' A' ' 14' ' ' VAL . 44.4 mt -89.9 -56.18 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 36' ' ' CYS . 33.4 m -38.08 -52.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 7.9 mt-30 -44.24 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 41' ' ' GLN . 3.6 tmm_? 84.83 -47.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.8 -55.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.58 85.8 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.61 133.05 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.34 61.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -131.89 173.55 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.14 21.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -117.16 130.5 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 86.9 m -75.5 156.86 34.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . 25.8 m95 -148.11 172.67 13.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.58 -172.96 23.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 72' ' ' VAL . 6.2 mt -113.75 149.81 34.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 HG21 ' CG ' ' A' ' 90' ' ' ARG . 52.3 t -139.01 118.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.71 130.74 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.92 143.5 39.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.301 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -114.06 92.65 27.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.58 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.652 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.6 p-80 -166.23 -42.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.652 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.93 -3.67 27.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.83 51.69 13.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.55 162.93 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.85 107.68 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -118.33 141.4 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.32 130.13 10.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.33 160.3 14.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.96 -177.82 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -49.79 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -60.42 -26.23 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -50.96 131.27 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.406 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -77.16 108.53 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -46.75 -42.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.0 t -64.27 -64.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -48.02 -24.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 71' ' ' SER . 59.0 t -88.1 -43.15 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.494 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.7 pt20 -75.84 -7.52 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -86.75 -33.98 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.33 73.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -44.76 140.79 3.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.99 15.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.44 137.93 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.57 -44.44 2.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -39.7 -39.66 1.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 59.6 40.77 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 20.3 m -60.15 153.27 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.44 -175.81 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -115.94 141.03 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' VAL . 89.2 t -123.62 130.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 51' ' ' TRP . 7.9 t80 -91.4 117.5 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.481 ' CG ' HG21 ' A' ' 54' ' ' VAL . 8.2 ptm180 -151.81 145.13 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -93.81 -38.75 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -113.76 98.55 7.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.415 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -123.27 165.0 17.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.58 141.28 20.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.56 96.69 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.68 157.0 27.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.12 159.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 t -117.43 91.97 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.31 116.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -137.86 83.75 2.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.95 163.67 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.1 83.69 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.53 112.68 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.05 -95.18 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.16 157.19 76.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.24 7.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -111.83 107.58 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.97 91.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.49 127.96 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -98.77 98.53 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.22 130.26 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 91.5 m-85 -102.75 140.47 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 p -91.65 146.8 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 3.1 mt-10 -44.84 -39.67 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.16 -45.75 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.36 -25.2 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 113.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.86 124.39 32.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.41 164.54 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 159.57 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' CG1' HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -147.39 140.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -95.43 104.88 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 m -128.97 166.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -124.91 153.03 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 98.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 157.55 -51.12 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.41 139.91 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.91 179.05 4.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.61 -16.69 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tpt180 -81.6 -35.66 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -63.76 -46.92 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' A' ' 39' ' ' LEU . 78.9 t -59.17 -46.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.17 -53.35 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.47 -55.37 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -61.17 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' CD1' HG13 ' A' ' 35' ' ' VAL . 72.4 mt -45.51 -55.62 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.42 -53.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.65 -74.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.77 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.63 60.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.66 173.19 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 65.85 128.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -179.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -44.44 107.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.44 -45.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 6.5 pt-20 -137.11 110.69 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 t -84.71 -45.52 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 12.0 m95 55.08 175.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.67 -175.97 34.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.3 mt -112.03 151.41 29.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.25 124.57 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -89.49 113.13 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.24 144.8 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -114.92 90.85 24.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.08 3.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.5 p-80 -166.08 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.682 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -100.63 -3.07 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.12 46.42 19.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.07 157.19 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.55 106.77 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -117.51 150.38 39.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.77 136.37 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.67 157.12 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.95 -171.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -85.28 -52.97 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -50.75 -24.4 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.96 132.3 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.92 115.09 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 53' ' ' LEU . 1.3 m -53.04 -39.25 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.62 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.78 -38.76 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t -77.84 -32.72 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.97 -33.37 65.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.248 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.8 -33.16 58.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.6 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 43.6 m0 -58.61 147.9 68.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.75 36.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.5 -47.07 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.83 40.23 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ASP . . . -151.87 73.92 0.26 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLY . 0.5 OUTLIER -39.44 -57.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 19.4 m 58.44 155.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.31 172.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.31 120.37 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 t -101.62 153.48 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.3 t80 -112.17 113.25 25.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HG2' ' CG ' ' A' ' 17' ' ' GLU . 1.3 mtp180 -135.33 153.29 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -108.9 -26.25 10.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -150.78 74.06 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' ARG . 47.7 p90 -105.31 128.5 53.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.27 176.53 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 m -100.99 -55.25 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.2 172.74 27.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 141.7 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -157.13 128.28 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.9 115.41 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -77.85 159.21 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.29 177.46 47.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.64 138.0 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -124.09 91.25 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.81 -131.89 10.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -115.43 160.12 35.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.32 10.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -115.34 107.25 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.59 91.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 13' ' ' LYS . 94.3 t -75.28 140.91 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' N ' HG12 ' A' ' 12' ' ' VAL . 17.5 mtpt -117.78 99.34 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 22' ' ' ARG . 76.0 t -105.22 133.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 55.1 m-85 -100.51 141.66 33.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' GLY . 65.7 p -88.86 139.48 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CG ' ' NE ' ' A' ' 90' ' ' ARG . 5.2 mt-10 -44.09 -39.0 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.82 -42.48 90.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 139.77 -27.72 2.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -63.13 102.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.45 162.21 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 108.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -149.37 174.03 12.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 30.2 m -134.56 144.06 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.55 146.59 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.39 106.86 19.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 29.3 m -128.37 156.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.64 176.87 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 85.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.15 -52.52 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.25 136.93 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -105.23 -173.69 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.04 55.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -82.24 -48.1 11.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -45.76 -48.59 15.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' MET . 79.2 t -64.42 -58.32 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.6 t -42.78 -30.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.315 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' VAL . 3.2 mm-40 -81.67 -44.24 17.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.594 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 27.4 mtp -59.39 -50.95 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' NE ' ' A' ' 22' ' ' ARG . 14.2 mt -57.31 -58.62 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' CG ' ' A' ' 41' ' ' GLN . 5.2 t -39.85 -41.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' CG ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER 175.43 -48.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -179.38 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.15 174.16 11.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.07 146.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.43 161.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.22 -63.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.07 138.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -169.56 -55.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -171.21 131.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.1 p -77.01 141.72 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.64 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 19.5 m95 -136.6 158.34 44.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.18 -159.85 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 72' ' ' VAL . 7.1 mt -121.57 152.52 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 23.7 t -140.59 113.35 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -78.75 117.92 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.56 145.12 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -112.8 94.5 29.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 7.2 p-80 -167.08 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.652 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.619 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.01 -2.22 30.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.74 47.99 21.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.78 161.81 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -144.93 109.82 5.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -120.41 144.3 48.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.34 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -112.6 137.63 14.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.82 153.79 26.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.55 -176.17 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -70.35 -55.01 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -45.6 -41.1 9.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -49.55 126.44 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.08 119.66 26.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -51.31 -40.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.95 -63.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.71 -36.87 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.07 -34.34 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -71.06 -32.17 68.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.66 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.66 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 37.6 m0 -45.42 142.65 3.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.9 30.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.0 125.0 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.25 -69.5 0.53 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.19 126.35 36.0 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -76.72 57.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 22.6 m -51.05 142.56 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.41 165.38 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.17 164.44 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 24.5 t -143.15 143.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.64 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.0 t80 -102.78 113.92 27.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' CD ' ' HB3' ' A' ' 93' ' ' PHE . 78.9 mtt180 -134.29 164.91 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 1.2 ptpp? -110.72 -41.38 4.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -140.4 66.24 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.462 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . 34.9 p90 -78.7 135.61 37.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 42.53 88.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.18 165.26 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.11 -145.47 30.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -179.83 99.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t 60.35 163.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.04 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -166.52 -57.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 54.11 99.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.2 163.04 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.1 111.04 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.733 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.65 -155.44 19.59 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.71 134.48 23.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -104.68 108.06 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.7 97.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.63 124.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.58 114.79 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 89' ' ' PHE . 38.1 t -113.01 105.62 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 21' ' ' CYS . 73.2 m-85 -84.32 159.55 20.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -116.6 153.51 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.964 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.57 -48.91 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -50.0 -45.66 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.68 -34.68 2.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.17 133.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . 30.3 p -94.23 130.95 40.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -134.23 112.2 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -104.82 156.96 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.34 145.43 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.27 114.42 21.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -138.54 169.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -134.61 160.08 39.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.6 -50.0 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.62 146.37 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 p -115.76 179.17 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.39 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.97 -42.55 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -55.02 -59.6 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' LEU . 59.5 t -44.27 -61.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 51' ' ' TRP . 42.7 t -43.12 -62.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.4 mm-40 -51.69 -39.58 58.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 79.3 mtp -68.87 -33.73 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' VAL . 85.6 mt -80.02 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 33.6 m -40.11 -54.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' A' ' 40' ' ' VAL . 1.8 mt-30 -159.12 -93.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.43 -68.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.92 66.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.77 111.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.1 146.72 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -104.02 150.19 24.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.06 72.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -127.41 -45.01 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.59 123.18 28.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 25.4 p -83.4 145.49 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 91' ' ' LYS . 29.9 m95 -145.64 168.06 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.39 6.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 ' CG1' ' A' ' 72' ' ' VAL . 5.9 mt -130.61 149.89 52.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 90' ' ' ARG . 59.0 t -137.69 114.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.5 pt-20 -73.92 134.5 43.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.33 143.37 45.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -113.94 93.13 28.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 55.04 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.771 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.3 p-80 -165.7 -42.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.633 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -3.48 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.75 50.74 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.29 160.91 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.24 109.38 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.2 ttp180 -117.99 142.59 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.1 133.91 11.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.81 155.27 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -62.92 -172.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.61 -51.46 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -57.5 -22.53 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 136.79 34.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 74' ' ' GLU . 1.5 m -86.41 107.5 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -46.29 -40.7 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 78.2 t -64.9 -61.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' A' ' 71' ' ' SER . 3.1 mt-10 -48.01 -38.49 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -78.68 -33.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -71.45 -29.98 65.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.9 -29.03 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.42 96.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -42.69 147.17 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.19 35.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -94.53 69.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.0 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -91.35 132.3 11.21 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.96 58.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 58.8 m -52.78 153.13 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.14 167.89 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -104.69 147.11 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' VAL . 90.0 t -129.07 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.4 t80 -104.06 117.62 34.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.498 ' CG ' HG23 ' A' ' 54' ' ' VAL . 10.3 ptm180 -149.33 153.77 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -109.33 152.72 24.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t30 41.96 49.96 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 93' ' ' PHE . 1.1 p90 -74.24 130.95 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -175.81 83.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 t 51.04 82.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.36 146.97 43.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 t -98.6 164.99 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -151.49 132.12 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.06 143.52 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -156.19 -58.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 -84.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t 59.85 107.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.17 -57.44 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.33 179.04 17.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -55.73 162.42 2.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -101.39 113.41 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.04 98.56 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.73 132.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -105.25 102.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -97.37 128.56 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 68.8 m-85 -100.69 147.64 25.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.44 148.51 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.94 -52.31 7.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -45.98 -41.75 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.93 -26.76 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 142.05 16.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.25 134.37 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.269 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -132.91 146.49 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 150.7 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 132.12 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 108.01 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.3 175.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -138.89 155.67 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.85 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 156.1 -47.61 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.07 137.96 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 p -103.41 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.79 65.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -78.44 -44.14 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 38' ' ' MET . 14.2 m80 -47.92 -50.53 26.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.7 t -57.78 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 15.0 t -43.62 -50.69 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.613 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -63.93 -43.05 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 1.4 mmm -66.73 -19.64 65.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.4 mt -91.86 -57.84 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.613 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 10.1 m -50.24 -45.05 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 64.27 90.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.6 157.87 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.58 -62.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -95.37 84.13 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.75 72.38 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.1 61.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.7 p 179.58 61.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.06 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.44 -42.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.69 153.0 42.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.0 p -117.64 -47.88 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 50.1 m95 62.04 176.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.91 -148.22 7.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.4 mt -132.68 150.38 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 93' ' ' PHE . 77.7 t -136.87 113.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 pt-20 -74.19 124.55 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.92 143.4 33.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.47 93.87 29.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.641 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.4 p-80 -167.15 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.641 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.32 -3.07 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.03 47.16 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.21 162.35 16.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -144.1 108.82 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 32.9 ttm-85 -116.44 142.24 47.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.19 135.18 12.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.94 150.73 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.49 -176.83 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -73.41 -55.91 5.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -44.8 -34.87 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.24 124.27 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.52 116.59 20.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -49.97 -42.16 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' ALA . 61.7 t -65.33 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.94 -38.1 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.3 t -78.68 -32.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -73.38 -31.64 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.52 -32.51 60.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.22 77.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.7 m0 -47.22 148.78 1.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.81 30.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.4 t -96.92 66.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.68 -47.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -94.87 129.38 9.88 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.66 59.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 45.1 m -55.76 143.57 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.051 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -141.99 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -105.18 149.98 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' VAL . 98.5 t -131.02 143.81 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 11.5 t80 -104.61 118.7 37.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' CG ' HG22 ' A' ' 54' ' ' VAL . 2.0 ptm180 -154.81 152.23 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -104.91 -15.96 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -124.81 112.78 17.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 54' ' ' VAL . 8.5 t80 179.99 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.8 -48.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m 62.23 122.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.39 -121.3 0.59 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 65.4 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.52 168.18 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.4 t -73.96 114.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.24 91.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 152.86 30.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.91 -149.26 18.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.75 97.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.982 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.02 112.83 24.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.63 167.12 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.81 155.64 51.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.34 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.45 107.18 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.3 t -88.28 95.3 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -82.4 127.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.93 107.5 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 39' ' ' LEU . 25.4 t -104.12 133.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 77.7 m-85 -112.58 138.08 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -90.11 140.55 29.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.31 -42.46 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -41.43 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 138.26 -27.56 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.32 124.18 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.51 147.03 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' NH2' ' OG ' ' A' ' 16' ' ' SER . 1.5 ptt180 -163.12 144.85 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -119.84 153.57 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 39' ' ' LEU . 5.5 m -127.67 144.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.13 105.85 16.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' CG1' ' HE1' ' A' ' 38' ' ' MET . 35.3 m -127.64 164.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.91 174.63 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.98 82.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.59 -51.04 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 144.26 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 p -107.97 -178.39 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.09 66.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.3 tpt180 -68.82 -46.45 68.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -45.43 -60.01 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' LEU . 36.8 t -45.1 -63.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 39' ' ' LEU . 18.2 t -41.53 -67.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.632 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 4.5 mm-40 -47.24 -45.5 23.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.442 ' HE1' ' CG1' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -66.83 -18.49 65.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.996 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' VAL . 98.5 mt -93.57 -59.29 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.632 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 2.8 m -47.27 -37.33 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.52 122.52 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.72 -55.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.09 95.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 m170 61.87 159.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.642 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 177.69 109.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -147.7 121.91 9.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m 45.65 94.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -146.9 173.72 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.55 157.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 27.6 p -76.29 165.55 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.626 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 58.5 m95 -158.67 160.71 36.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 107.983 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.89 -168.94 28.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 72' ' ' VAL . 6.1 mt -113.93 151.08 32.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 93' ' ' PHE . 90.4 t -132.64 115.55 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -81.34 121.44 26.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.35 145.33 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.349 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.9 m-70 -113.14 94.05 28.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 56.9 4.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 6.7 p-80 -167.75 -41.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.42 -2.2 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.28 47.97 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.82 161.95 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -145.28 108.56 4.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 15.6 tpp180 -117.7 150.84 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -115.99 136.04 12.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.86 155.15 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.94 -178.73 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -68.07 -54.97 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 18.5 p-80 -43.65 -46.55 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 5.9 mm-40 -43.52 130.98 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.65 113.23 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -46.64 -41.92 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' ALA . 56.5 t -65.13 -59.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.48 -39.0 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -78.52 -29.68 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -75.05 -31.5 61.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.65 -37.28 62.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.15 79.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 47.4 m0 -46.23 143.09 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.74 34.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.69 121.26 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.42 -34.9 5.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.76 -33.68 4.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 59.26 30.36 20.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.4 m -57.43 155.07 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -139.12 -179.01 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' A' ' 53' ' ' LEU . 6.5 m-85 -118.0 124.31 47.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -104.21 151.21 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.1 t80 -111.53 114.46 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -135.01 151.96 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 51' ' ' TRP . 3.6 ptpt -107.07 -23.95 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -134.37 62.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.509 ' CG ' HG21 ' A' ' 54' ' ' VAL . 6.7 t80 -96.59 131.85 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 63.01 130.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.3 m 61.3 143.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.6 -144.61 9.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.58 29.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 t 63.68 102.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -59.18 2.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -170.14 -55.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -141.97 110.76 6.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 -134.67 12.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.5 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -99.89 163.14 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.14 -165.65 15.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -122.76 156.41 61.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -106.39 109.86 21.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -92.18 92.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.39 133.8 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -105.9 104.28 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.2 t -98.15 133.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 61.7 m-85 -109.25 143.04 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.75 147.0 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -39.64 -59.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -40.47 -45.0 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.27 -30.0 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.16 126.11 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.28 130.51 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -133.99 147.5 51.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 p -121.23 142.67 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' HD21 ' A' ' 39' ' ' LEU . 14.1 m -124.49 146.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.43 117.04 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.75 165.52 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -127.85 176.89 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.7 78.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.26 -49.29 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.1 146.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -112.95 177.25 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.07 -34.61 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -66.34 -46.34 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -45.99 -59.43 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.1 t -50.07 -60.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 40.6 t -41.93 -51.1 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 mm-40 -62.75 -42.44 99.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 88.1 mtp -66.91 -22.47 65.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' VAL . 74.9 mt -88.79 -57.58 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 11.8 m -50.78 -45.0 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 64.94 111.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 170.86 -40.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 69.83 -65.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -42.73 -63.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 40.25 70.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 46' ' ' LEU . 2.4 tm? -60.95 -60.55 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.23 -76.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.88 -171.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -108.36 179.42 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -81.31 138.93 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.527 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 52.8 m95 -146.62 167.8 22.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.58 173.99 46.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 72' ' ' VAL . 5.6 mt -97.31 148.31 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 HG21 ' CG ' ' A' ' 90' ' ' ARG . 79.6 t -136.76 113.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.59 134.31 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.57 143.78 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.7 m-70 -113.9 93.42 29.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.1 p-80 -166.58 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.638 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.39 -3.14 29.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.23 49.15 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.88 158.53 24.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.96 109.9 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.8 tpp180 -116.42 138.79 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -101.02 145.0 16.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.64 151.51 44.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 15.1 mt-10 -77.0 -176.14 3.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -70.9 -54.95 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 35.8 p-80 -44.52 -43.04 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -43.58 134.36 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.11 110.83 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -45.61 -40.37 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.76 -63.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -48.11 -39.93 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -30.89 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -73.59 -34.25 64.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.32 -33.47 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.35 84.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.9 m0 -42.85 139.66 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.0 p -93.34 120.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.7 -63.33 0.63 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.9 113.54 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.96 60.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 75.0 m -57.96 153.55 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.7 177.09 10.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -114.13 120.51 40.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.82 132.71 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.37 117.1 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.483 ' CG ' HG21 ' A' ' 54' ' ' VAL . 5.5 ptm180 -146.94 152.88 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.527 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 4.8 ptpt -102.83 -27.89 12.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -121.94 87.91 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -110.57 124.88 52.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -177.95 57.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t 70.19 170.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.83 77.34 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 93.9 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.11 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 -57.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -160.74 114.85 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -63.87 -58.37 6.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 -66.3 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.13 145.0 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.47 160.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.48 -164.32 5.07 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -139.84 168.28 15.54 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.457 0.74 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.54 18.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -116.76 114.54 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.9 m -88.06 42.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.1 t -32.94 126.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.79 115.36 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 35' ' ' VAL . 37.6 t -110.97 88.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -59.17 145.55 42.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.3 m -113.26 146.39 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -42.24 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -43.13 78.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 105.58 18.67 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.14 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t 63.24 133.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -151.8 148.86 28.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' VAL . 48.8 m -122.23 146.5 47.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.953 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -128.66 131.38 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.8 105.96 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -124.57 163.48 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.82 155.95 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 99.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.99 -49.44 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 128.16 32.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -95.39 -178.76 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 66' ' ' LEU . . . -58.97 -16.76 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 4.4 tpt180 -84.94 -45.5 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -48.28 -46.77 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG1' HG22 ' A' ' 14' ' ' VAL . 55.3 t -58.79 -49.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -50.64 -47.74 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.45 -58.75 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.8 mmm -48.17 -59.28 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' CD1' HG13 ' A' ' 35' ' ' VAL . 46.4 mt -51.7 -57.67 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 48.2 t -49.24 -57.45 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER 172.67 167.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.83 -51.67 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.23 -175.39 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 70.35 -65.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.54 143.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.31 -179.69 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.81 157.95 18.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 178.95 122.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.21 165.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.59 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 29.8 m -98.52 159.21 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 50' ' ' THR . 57.9 m95 -154.04 170.96 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.87 -136.05 2.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.18 157.78 44.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 90' ' ' ARG . 50.6 t -139.64 113.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 4.6 pt-20 -76.66 120.26 21.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.58 142.82 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 35.2 m-70 -112.77 94.92 31.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.567 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -75.04 57.94 4.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.697 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.9 p-80 -171.13 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.697 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -104.61 -1.66 26.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.69 51.38 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.11 161.75 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -145.75 108.26 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 5.4 tpm_? -115.41 140.92 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -103.27 92.91 0.96 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 2.0 pt? -61.92 142.84 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.17 -172.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -78.53 -53.11 7.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -52.02 -23.93 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.57 128.79 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.422 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -86.41 122.13 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 1.5 m -57.38 -38.39 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.09 -64.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -46.81 -36.76 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 71' ' ' SER . 79.3 t -80.5 -36.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -68.53 -34.97 76.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.1 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.19 66.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 48.4 m0 -58.69 144.05 80.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.04 32.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.68 -68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.55 58.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.33 -55.7 6.61 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 60.52 32.25 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 33.4 m -59.82 163.12 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 175.84 10.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.92 142.92 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.92 141.51 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.427 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 6.7 t80 -97.9 118.55 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CG ' HG21 ' A' ' 54' ' ' VAL . 5.8 ptm180 -157.22 147.19 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.33 -27.74 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.63 109.31 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -142.29 145.83 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 175.15 64.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.49 81.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 40.65 88.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.2 m -166.01 144.74 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.09 144.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -117.1 -59.15 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 166.97 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.37 -110.84 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.93 52.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.34 113.61 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.7 -145.94 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.35 157.82 5.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -113.96 107.1 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.7 t -89.14 91.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.72 128.85 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -98.06 100.86 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 t -95.8 127.35 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 98.5 m-85 -102.49 143.47 32.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -93.45 138.46 31.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.87 -27.22 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -69.65 -34.41 73.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.7 -16.69 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.5 161.78 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -136.46 110.77 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.27 157.4 21.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.8 m -128.78 163.48 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG1' HD22 ' A' ' 39' ' ' LEU . 2.3 m -147.78 136.59 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.7 104.03 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -133.84 175.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.06 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.98 76.16 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.37 144.52 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 67.1 p -106.2 -178.0 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 53' ' ' LEU . . . -53.21 -58.88 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.0 tmm_? -45.46 -57.39 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -38.99 -41.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 39' ' ' LEU . 55.8 t -71.85 -47.89 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 t -51.51 -45.59 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -61.32 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.84 -51.49 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD22 ' CG1' ' A' ' 24' ' ' VAL . 79.0 mt -57.38 -39.09 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.65 -43.42 73.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 60.61 163.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.93 81.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.05 160.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 63.43 97.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' SER . . . -90.32 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mp 67.11 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -114.57 116.14 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -179.63 172.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 tt0 -81.42 162.63 23.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -65.7 -48.59 71.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 49' ' ' GLU . 61.2 m95 62.39 168.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.03 -179.65 48.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 32' ' ' ALA . 5.8 mt -102.28 157.35 16.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 88' ' ' VAL . 22.9 t -139.43 113.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -73.79 104.37 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.02 142.99 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.85 94.4 33.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.5 Cg_endo -74.98 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.2 p-80 -166.82 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.634 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.38 -4.16 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.41 53.01 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.59 160.79 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -145.24 111.33 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.7 tpp180 -120.05 143.54 48.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -109.6 137.22 14.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -109.05 169.57 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.03 -170.62 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.9 p-10 -79.68 -20.39 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -83.82 1.5 42.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 5.9 mm-40 -99.73 118.28 35.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 112.44 14.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -49.01 -42.51 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 12.6 t -62.41 -59.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.85 -40.3 55.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.9 t -76.07 -28.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -77.83 -30.07 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.89 -29.53 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.67 -24.58 59.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 24.4 m0 -48.53 148.49 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.14 31.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.28 139.42 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.75 -57.81 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.14 117.19 8.27 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 21.7 m-20 -81.05 54.46 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 7.6 m -54.55 136.65 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 9.5 ptt180 -126.9 176.15 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -108.22 111.47 23.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' VAL . 6.7 t -99.98 131.26 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.8 t80 -91.76 115.01 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.403 ' NE ' ' HB3' ' A' ' 93' ' ' PHE . 42.7 mtp180 -133.06 148.27 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 2.6 ptpt -101.01 -23.8 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -149.48 76.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.403 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 24.8 p90 -98.77 144.54 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 58.21 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.9 t -109.99 118.79 37.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.71 -145.16 1.41 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 67.08 6.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 t -144.76 89.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 169.43 7.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.47 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 48.46 94.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.35 -145.59 4.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.67 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.47 75.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 -59.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.31 149.18 72.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.15 11.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.02 109.51 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -88.75 92.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.56 128.28 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -101.43 128.55 47.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 89' ' ' PHE . 24.4 t -125.04 134.15 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 87.7 m-85 -111.81 141.66 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -99.71 151.87 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -46.64 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.46 -43.54 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.88 -31.49 2.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.71 137.86 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.0 p -105.17 146.18 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.235 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -144.97 141.24 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -126.95 155.33 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.433 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 4.2 m -138.1 137.86 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.55 106.13 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.25 164.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -101.62 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -171.41 -39.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 143.73 22.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 68.0 p -108.9 -172.9 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 35' ' ' VAL . . . -55.95 -59.57 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tmm_? -45.81 -55.99 5.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -41.03 -41.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 39' ' ' LEU . 46.0 t -72.22 -43.2 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.2 t -56.29 -48.47 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.89 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.433 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -50.11 -56.06 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 HD13 ' CG1' ' A' ' 35' ' ' VAL . 48.6 mt -52.76 -39.97 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.12 -43.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 62.54 87.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.55 132.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.57 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 68.5 m-70 42.1 -101.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.55 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 44' ' ' HIS . . . 82.15 100.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.35 65.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.55 77.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 175.27 161.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -52.08 165.07 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -86.38 153.35 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 25.4 m95 -140.77 155.73 46.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.53 -152.52 6.9 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 32' ' ' ALA . 5.1 mt -125.72 147.69 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 90' ' ' ARG . 70.2 t -136.66 113.75 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.63 130.03 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 88' ' ' VAL . 1.3 m -108.28 144.4 35.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.66 93.59 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.46 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 55.88 4.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.9 p-80 -167.02 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.645 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.69 -3.36 26.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.31 51.12 14.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.45 163.57 16.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -145.04 108.64 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -116.46 141.9 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.0 154.02 17.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -129.84 161.41 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -90.51 -170.91 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.6 p30 -79.59 -23.79 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 47.4 p-80 -79.15 -9.97 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.548 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 8.3 mm-40 -84.72 120.29 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.01 119.02 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -53.7 -41.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.4 t -64.15 -54.05 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.1 -42.58 73.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.41 -28.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -75.97 -33.34 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.0 -25.51 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -36.85 76.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -46.43 143.1 4.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.19 31.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.5 66.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.23 -45.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.33 136.74 13.16 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -81.17 54.01 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.2 m -51.22 145.42 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -147.0 169.5 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -103.07 123.55 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 55.0 t -101.5 150.7 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 3.3 t80 -110.84 114.74 28.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 54' ' ' VAL . 2.2 ptm180 -145.19 159.16 43.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -109.12 -22.94 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -121.7 109.54 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.408 ' CD1' ' HB1' ' A' ' 94' ' ' ALA . 1.4 t80 -168.84 -40.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 93' ' ' PHE . . . -177.76 106.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.73 114.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -43.28 104.72 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.88 5.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -49.37 154.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.2 t -157.54 -58.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.21 -58.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -122.1 -58.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.74 149.35 3.77 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -75.49 -59.85 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.4 84.05 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.92 -108.32 0.84 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 157.97 33.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.12 23.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.75 109.81 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -88.19 93.89 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -75.08 129.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -103.99 101.84 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.95 126.41 48.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 96.2 m-85 -99.06 142.75 30.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLY . 13.8 p -102.99 148.28 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.46 -49.57 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -43.36 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.49 -24.88 3.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.82 114.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.17 123.82 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.96 148.91 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -124.77 151.53 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 m -139.63 136.83 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.79 119.71 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.8 m -145.97 174.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.62 175.69 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 66.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.01 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.33 157.63 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.777 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 p -120.61 -177.02 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.4 -9.96 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.6 tpt180 -86.41 -41.87 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -55.6 -59.67 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LEU . 52.9 t -50.08 -62.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' VAL . 50.0 t -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.599 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -59.69 -44.22 93.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 83.9 mtp -61.61 -30.75 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 73.2 mt -82.14 -64.84 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.599 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 18.7 m -42.79 -46.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.5 98.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -136.15 -48.41 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.71 -59.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 157.92 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -155.07 128.54 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.3 81.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.24 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 175.24 134.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mt-10 59.89 91.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 51' ' ' TRP . 3.0 t -70.2 -48.27 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 9.9 m95 62.52 173.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.34 -169.81 29.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 72' ' ' VAL . 7.6 mt -109.86 153.58 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 90' ' ' ARG . 82.0 t -141.18 114.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.9 pt-20 -72.75 117.83 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.64 143.19 31.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.5 m-70 -112.96 94.93 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 56.77 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 7.0 p-80 -167.87 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.87 -1.26 29.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.15 47.19 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 162.06 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -145.79 107.6 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.6 ttp85 -116.73 138.01 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.492 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -103.94 131.95 10.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.39 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.49 -173.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -85.83 -53.08 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -49.25 -32.57 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.49 127.04 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.76 107.08 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -40.59 -44.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.6 t -62.06 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -46.92 -25.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -86.75 -41.77 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.02 -5.53 51.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -97.49 -23.94 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -27.53 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 38.7 m0 -43.63 146.71 0.92 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.37 31.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -83.46 107.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.76 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.89 103.62 1.17 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.69 59.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -60.95 152.37 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 15' ' ' TYR . 8.7 ptt180 -136.38 176.16 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -110.05 113.31 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.8 129.79 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.535 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 2.6 t80 -91.61 115.28 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' CG ' HG23 ' A' ' 54' ' ' VAL . 2.7 ptm85 -144.7 160.64 40.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.59 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -108.44 -23.79 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -122.65 77.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -104.62 126.83 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.88 -44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -146.37 83.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -49.05 176.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 m -107.23 -55.12 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.28 107.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.89 113.59 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -147.97 95.98 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.47 -121.78 27.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -92.45 96.56 10.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.93 145.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.27 157.6 25.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.7 148.59 69.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.09 15.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.29 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.13 93.63 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.24 130.48 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -105.04 105.02 14.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.26 133.18 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 52.1 m-85 -102.19 146.48 27.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -104.64 145.14 30.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.47 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.58 -46.05 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 137.94 -27.56 2.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 126.79 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.24 129.24 46.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -137.61 146.19 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -130.38 160.51 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' HD22 ' A' ' 39' ' ' LEU . 15.7 m -137.48 151.0 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.75 113.2 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' CG1' ' HE3' ' A' ' 38' ' ' MET . 32.8 m -132.4 176.95 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -142.85 154.61 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 161.39 -51.92 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.01 155.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -120.49 178.15 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -21.32 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -76.27 -44.38 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -51.29 -57.97 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.65 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 39' ' ' LEU . 72.3 t -55.57 -52.86 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 52.5 m -47.46 -40.6 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 8.7 mm-40 -75.76 -43.49 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HE3' ' CG1' ' A' ' 26' ' ' VAL . 84.0 mtp -63.65 -23.36 67.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 35' ' ' VAL . 70.8 mt -87.65 -60.47 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 13.3 m -47.91 -47.5 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 63.09 80.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -149.79 -57.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' ARG . . . 81.38 132.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 61.11 58.49 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.28 58.43 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.97 123.43 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.4 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 175.97 -80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -131.31 59.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.363 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -40.42 -61.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.598 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 12.3 m95 65.64 161.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.2 -178.1 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 72' ' ' VAL . 7.4 mt -105.77 151.61 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG23 ' CG ' ' A' ' 90' ' ' ARG . 73.8 t -136.72 113.45 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 4.5 pt-20 -73.28 133.45 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.59 142.3 46.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.4 m-70 -114.76 94.06 35.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.74 4.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.695 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.0 p-80 -168.38 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.06 -3.45 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.81 49.93 19.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.69 159.14 20.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -144.86 107.54 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -119.43 143.34 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -107.1 138.7 14.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.38 150.04 37.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -173.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -73.39 -54.28 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -48.04 -34.09 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 126.08 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.91 125.8 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 53' ' ' LEU . 2.0 m -58.53 -38.39 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.58 -62.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.58 -37.19 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.8 t -80.32 -34.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -69.52 -34.29 74.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.77 62.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.23 77.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.555 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.9 m0 -50.19 150.94 3.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.61 117.87 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.77 -63.18 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 165.18 22.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -95.66 41.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.555 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 18.5 p -39.73 152.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.567 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -166.98 174.34 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -107.04 163.83 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' VAL . 70.0 t -137.71 152.15 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -116.46 114.69 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.491 ' CG ' HG23 ' A' ' 54' ' ' VAL . 5.1 ptm180 -149.6 160.5 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.598 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -110.19 -21.71 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -124.11 79.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -111.41 137.82 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 72.22 57.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.1 t -142.59 -60.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.98 173.39 40.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.61 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.38 157.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -108.97 -58.56 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -155.85 97.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.988 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -158.29 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.26 89.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.17 99.04 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.5 77.92 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.54 69.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.9 157.99 87.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.75 6.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -110.95 123.81 50.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.4 m -87.82 40.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.0 t -29.91 121.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.78 110.77 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 89' ' ' PHE . 10.2 t -102.38 94.15 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 57.5 m-85 -66.61 146.83 54.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 25.6 p -116.52 144.99 43.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.09 -41.78 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -45.26 81.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 121.49 -13.23 9.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.87 -59.7 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 47.5 t 68.31 129.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -121.56 165.3 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -132.05 135.17 46.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.64 132.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -85.16 104.25 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 156.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' ALA . . . -79.74 1.72 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' ALA . . . 89.23 -38.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -23.08 53.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.35 175.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -127.26 -169.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.59 -31.71 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.55 -47.72 71.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.39 -62.25 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -47.95 -48.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.2 t -53.42 -56.12 19.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.14 -45.76 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.6 mtp -61.61 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.4 mt -56.3 -52.55 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLN . 59.8 t -58.37 -56.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' VAL . 11.1 pt20 37.18 58.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.51 126.97 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.53 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 97.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.28 177.32 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.1 tp 70.11 -72.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.1 p -54.56 110.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 59.03 163.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 54.02 59.91 3.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 12.8 t -52.86 178.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 71.0 m95 -155.94 178.7 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.46 37.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD13 ' CG1' ' A' ' 72' ' ' VAL . 6.5 mt -100.28 150.82 22.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 HG21 ' CG ' ' A' ' 90' ' ' ARG . 77.6 t -136.65 114.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' OE2' ' NE ' ' A' ' 64' ' ' ARG . 2.4 pt-20 -77.63 126.75 31.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.47 145.15 36.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 48.1 m-70 -116.11 93.17 37.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.35 3.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.628 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.8 p-80 -166.07 -42.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.628 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.38 -2.66 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.81 49.97 16.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.12 159.74 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -145.15 107.48 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NE ' ' OE2' ' A' ' 55' ' ' GLU . 17.3 ttp180 -116.82 147.68 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.7 130.92 9.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.85 155.0 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.25 173.1 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -65.22 -59.59 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.431 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 28.4 p-80 -40.91 -44.38 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 6.2 mm-40 -49.95 127.88 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.38 116.59 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -43.72 -44.81 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.4 t -65.28 -63.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -46.9 -24.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.7 t -88.2 -44.65 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.97 -4.77 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -90.3 -23.43 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.78 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.8 m0 -45.97 137.99 5.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.44 146.06 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -53.78 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 121.62 25.96 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.04 51.87 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 16.4 m -49.03 160.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -164.02 170.77 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -104.47 152.09 22.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' VAL . 59.2 t -135.99 128.48 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.9 t80 -91.37 118.33 30.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.481 ' CG ' HG21 ' A' ' 54' ' ' VAL . 8.4 ptm180 -151.0 141.86 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.571 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 1.2 ptpt -99.32 171.21 8.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.96 28.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 2.1 p90 -80.44 131.54 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.77 -74.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -130.18 88.7 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.87 146.82 45.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.81 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.3 168.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.59 167.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -153.18 145.63 24.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.31 107.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.19 -163.46 10.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 m -100.2 96.08 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -160.49 -60.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.54 111.77 0.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 158.62 87.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -112.77 116.83 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.7 m -90.17 35.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' VAL . 12.9 t -31.91 131.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -100.7 128.79 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -119.45 103.87 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 84.5 m-85 -80.35 144.18 32.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.05 150.01 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.66 -45.61 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -44.1 76.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.75 -27.46 3.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.99 116.75 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.774 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.48 146.4 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 2.7 ptm85 -147.75 147.55 30.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 p -115.69 147.84 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -131.95 128.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.33 111.63 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.69 148.13 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -92.75 172.56 8.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.94 64.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -159.38 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 159.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 p -127.07 -173.13 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 -9.71 47.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.59 20.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -67.27 -57.6 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 39' ' ' LEU . 73.3 t -48.26 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 46.5 t -42.18 -39.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 5.3 mm-40 -78.15 -43.35 29.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmm -63.01 -21.72 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 35' ' ' VAL . 56.0 mt -89.91 -62.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.605 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m -44.75 -47.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -42.64 113.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -155.2 -48.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.09 -60.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.05 -66.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 47.09 88.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.94 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.28 92.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -145.35 113.98 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.74 154.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 44.5 p -86.3 159.97 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 50' ' ' THR . 54.9 m95 -155.84 169.32 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.984 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.49 -153.0 9.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 72' ' ' VAL . 6.8 mt -128.92 151.56 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 HG23 ' CG ' ' A' ' 90' ' ' ARG . 50.9 t -138.65 116.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.77 125.75 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.48 144.08 36.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.6 m-70 -113.88 93.35 28.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.647 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 5.1 p-80 -167.63 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.34 -4.92 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.2 51.26 12.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.29 158.96 25.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -144.95 107.8 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -116.72 137.05 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.82 132.69 11.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.29 154.59 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.67 -170.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -49.74 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -57.82 -25.35 60.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.86 134.57 51.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -82.67 108.86 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -45.27 -44.16 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.6 t -62.37 -41.16 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.1 mt-10 -69.95 -29.3 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.8 t -84.73 -28.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.6 pt20 -89.11 -20.79 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.22 -32.23 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.02 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -43.02 137.71 2.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 108.04 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.37 20.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.08 -38.45 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.75 59.68 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.24 120.94 0.78 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.26 53.63 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 71.6 m -55.37 147.28 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.71 -179.26 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.74 149.24 38.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -132.02 131.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 7.8 t80 -92.33 116.3 28.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.483 ' CG ' HG23 ' A' ' 54' ' ' VAL . 8.1 ptm180 -151.96 149.79 29.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -99.04 -40.3 8.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.15 100.98 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 1.5 p90 -133.29 131.16 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 93' ' ' PHE . . . 77.26 94.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' ALA . 88.5 p -39.38 148.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.73 -69.12 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 62.64 5.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -146.69 166.93 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -78.55 123.2 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -153.53 -58.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.54 150.41 38.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.72 118.39 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.9 -58.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.15 88.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.12 -129.76 26.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 164.92 55.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.01 9.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -91.37 114.79 27.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.5 m -89.62 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 11' ' ' VAL . 18.6 t -29.79 125.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 3.1 mtpp -99.91 115.72 30.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 39' ' ' LEU . 34.3 t -107.95 98.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 59.0 m-85 -67.42 151.2 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -114.41 149.57 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.86 -44.13 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -54.69 -40.61 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 131.86 -32.21 2.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 118.77 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 21' ' ' CYS . 30.1 p -99.3 110.01 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -104.25 157.28 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HB3' ' CG ' ' A' ' 13' ' ' LYS . 3.3 p -132.09 137.57 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 ' CG1' HD23 ' A' ' 39' ' ' LEU . 3.1 m -119.37 131.39 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -81.57 104.51 12.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 30' ' ' ALA . 5.9 m -130.05 155.65 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -90.28 171.68 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 65.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -164.71 -41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . . . -46.61 153.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.0 p -124.38 161.75 25.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' CA ' HG12 ' A' ' 72' ' ' VAL . . . -38.69 -39.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 3.4 tmm_? -51.32 -69.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ARG . 27.7 m80 -38.47 -57.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 39' ' ' LEU . 59.4 t -44.16 -49.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' ARG . 46.1 t -54.21 -55.62 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.81 -53.47 48.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtm -56.27 -58.57 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 14' ' ' VAL . 94.1 mt -52.7 -59.72 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t -43.86 -55.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.21 125.23 22.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.51 -60.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.92 -55.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -132.95 77.1 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.613 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.21 73.4 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.21 -75.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -69.07 135.79 51.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -159.81 117.61 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.73 48.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m 70.61 -63.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.512 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 45.7 m95 65.38 -175.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.66 -141.84 4.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.152 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 72' ' ' VAL . 7.4 mt -139.38 154.29 47.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG23 ' CG ' ' A' ' 90' ' ' ARG . 89.2 t -141.57 113.44 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.05 125.45 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.1 144.51 32.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 46.4 m-70 -115.43 92.97 34.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 4.4 p-80 -166.58 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.94 -2.95 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.57 52.34 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.9 160.76 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -145.12 107.54 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 1.6 ttp180 -115.2 139.8 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.73 145.82 15.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 155.22 43.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.19 -171.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -84.65 -41.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -64.44 -18.03 64.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.6 OUTLIER -80.12 112.17 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG1' HD13 ' A' ' 53' ' ' LEU . 1.6 m -53.59 -41.47 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 19.4 t -63.97 -63.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.32 -23.09 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 71' ' ' SER . 67.8 t -88.35 -31.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.8 pt20 -88.95 -6.47 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.93 -23.05 29.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.74 -28.01 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 46.6 m0 -43.72 139.86 2.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.48 133.84 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.41 -63.86 0.35 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.12 145.42 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.36 43.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 2.1 m -45.75 144.79 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.12 -178.35 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -115.27 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -125.45 149.55 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.454 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 12.7 t80 -112.31 114.84 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.448 ' CG ' HG23 ' A' ' 54' ' ' VAL . 2.6 ptm180 -152.34 152.43 32.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -104.25 -25.28 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -110.41 106.76 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 2.1 t80 -175.19 131.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . . . 71.63 135.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -164.79 127.29 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' SER . . . 37.85 -124.19 1.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 80.36 2.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.72 -42.15 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.79 -93.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.8 24.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -110.44 107.63 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.37 94.23 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.99 127.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -101.94 100.98 11.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 35' ' ' VAL . 11.9 t -98.19 126.1 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 88.9 m-85 -98.12 144.1 27.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.3 t -106.39 150.67 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.18 -52.69 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -45.04 -45.09 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 133.93 -34.25 2.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 125.63 20.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.733 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 26.9 t -97.54 128.09 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.358 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -118.85 116.15 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.4 p -92.43 158.69 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.86 136.6 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.39 105.13 12.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.37 176.76 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -140.52 159.56 41.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.71 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.36 -51.42 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.2 128.97 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -92.11 -178.2 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -65.78 -13.67 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -89.25 -35.69 16.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -58.35 -36.43 73.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 14' ' ' VAL . 55.0 t -70.2 -46.4 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 t -54.98 -46.31 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.67 -58.15 9.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmm -52.08 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 35' ' ' VAL . 95.5 mt -47.73 -64.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 28.0 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.68 -169.72 42.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -118.67 150.12 40.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG21 ' HD3' ' A' ' 90' ' ' ARG . 72.2 t -136.9 115.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.7 pt-20 -74.23 129.07 37.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.13 144.02 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.262 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-70 -113.66 93.92 30.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.45 3.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.7 p-80 -166.23 -42.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -101.32 -3.64 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.78 46.63 22.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.86 161.22 17.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.81 109.85 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 3.7 ttp180 -116.43 138.68 51.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.12 138.57 14.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -115.36 156.09 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -171.69 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -77.49 -52.95 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -51.06 -28.21 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.577 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.6 136.82 56.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.2 m -94.82 115.82 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.1 m -51.88 -40.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 60.5 t -65.87 -60.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -50.27 -39.35 44.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 84.7 t -78.06 -30.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.3 tt0 -74.22 -33.16 63.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -73.62 -18.21 61.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.98 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 49.9 m0 -47.15 139.45 7.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.98 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.4 p -72.98 -45.89 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -76.48 59.52 3.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.11 107.16 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.02 61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 21.7 m -57.65 154.43 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -152.31 171.68 17.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -107.26 150.14 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.6 t -130.92 143.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 5.8 t80 -104.19 116.38 32.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.2 ptm180 -150.16 146.58 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.03 19.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' O ' HG22 ' A' ' 26' ' ' VAL . 92.2 m-70 -103.12 110.89 23.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.01 92.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.41 131.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -105.5 103.87 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HG11 ' A' ' 35' ' ' VAL . 20.1 t -97.38 135.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 89.3 m-85 -112.93 144.61 42.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -106.01 147.28 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.77 -51.55 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.64 -44.96 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.93 -27.06 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 114.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.05 155.26 18.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -166.99 137.61 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.2 m -118.99 159.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 13.7 m -136.14 146.23 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.0 108.8 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 35.6 m -126.13 172.61 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.79 155.9 48.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.35 -51.83 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.1 146.81 8.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -114.71 -175.38 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -62.97 -14.34 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -85.7 -44.41 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -50.21 -50.42 49.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.6 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 76.8 t -55.09 -54.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -46.78 -56.0 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.19 -52.17 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.511 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 36.5 mtp -55.91 -56.07 25.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 80.1 mt -56.82 -55.97 27.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 91' ' ' LYS . 69.8 m95 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.31 -175.69 46.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.5 mt -108.01 148.27 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' VAL . 86.4 t -136.55 114.08 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.7 pt-20 -72.34 127.59 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.6 m-70 -113.38 94.51 31.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.698 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.9 p-80 -167.39 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -103.14 -4.03 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.67 50.85 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.26 162.19 17.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -144.01 107.68 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.9 tpp180 -115.84 142.28 46.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -108.22 139.92 15.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.14 152.08 35.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -73.75 -171.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -79.47 -52.77 7.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -52.36 -26.74 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.06 129.27 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -50.76 -41.82 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.9 t -64.5 -55.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.59 -40.91 69.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.22 -27.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -77.71 -32.36 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.51 -29.09 59.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.38 90.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 52.2 m0 -47.28 146.62 3.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.32 29.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.42 -54.15 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 51.29 4.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.35 80.94 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' SER . 1.2 m-20 -40.38 -55.17 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 36.3 m 54.6 167.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.958 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -171.53 168.47 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.3 m-85 -102.76 138.87 39.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.436 HG21 ' SG ' ' A' ' 56' ' ' CYS . 99.5 t -120.93 134.87 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -94.41 117.48 30.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.72 140.62 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -110.13 111.93 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.92 94.1 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -78.1 130.81 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -97.36 103.11 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG11 ' CD1' ' A' ' 39' ' ' LEU . 13.0 t -101.8 113.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 90.5 m-85 -89.74 139.68 30.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.5 t -102.66 151.47 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -56.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -44.26 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 132.67 -31.63 2.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.98 120.48 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.03 126.72 34.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.325 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -115.28 98.22 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 m -78.99 149.66 32.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.44 135.67 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.1 112.87 20.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.98 179.85 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -129.5 168.06 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 175.05 -38.36 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.96 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -113.58 -178.55 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -13.84 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -82.08 -46.05 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.11 -47.32 71.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.583 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.0 t -60.15 -53.71 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -47.18 -49.35 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.0 -56.45 21.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.0 mmm -51.86 -56.96 10.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 93.1 mt -50.45 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 30.7 m95 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.07 -179.09 44.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 66' ' ' LEU . 7.0 mt -101.22 156.05 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 ' HD3' ' A' ' 90' ' ' ARG . 48.2 t -140.11 113.98 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.8 pt-20 -78.18 122.05 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.69 142.67 31.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.72 93.82 30.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.4 3.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.695 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.4 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -5.34 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.88 52.32 9.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.62 158.97 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -144.96 111.16 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -115.99 146.28 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.15 88.89 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.5 pt? -57.12 155.33 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -167.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -49.07 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -59.87 -20.77 59.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.84 134.97 57.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -86.59 123.94 32.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' GLN . 2.3 m -58.78 -36.82 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.75 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.1 -36.76 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 71' ' ' SER . 62.9 t -80.77 -35.65 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -67.93 -38.47 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.79 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.21 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 85' ' ' SER . 53.1 m0 -46.57 145.9 2.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.99 163.88 34.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.18 -54.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.51 70.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.06 124.41 6.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.49 56.21 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB3' ' CE3' ' A' ' 79' ' ' TRP . 29.8 t -55.48 155.88 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -151.98 173.75 14.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -108.55 137.23 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.3 t80 -91.48 114.6 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.4 ptm85 -147.28 137.89 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 ptpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -97.27 112.47 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -90.59 91.92 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 49.7 t -76.11 127.19 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -102.65 98.61 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 39' ' ' LEU . 16.5 t -90.82 123.9 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 95.1 m-85 -99.03 139.73 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 p -98.21 145.47 26.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -42.83 -48.07 5.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 -46.64 60.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.13 -28.45 2.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.12 122.08 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.38 141.5 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -140.23 147.03 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 10.8 p -126.29 149.41 49.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 12.6 m -134.93 141.99 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.63 109.79 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 30.4 m -133.93 163.34 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -131.67 158.98 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.92 -52.37 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.43 147.14 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -112.93 178.13 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 66' ' ' LEU . . . -57.13 -26.1 59.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -74.57 -44.63 50.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -48.98 -52.13 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 39' ' ' LEU . 51.2 t -59.23 -51.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 41.4 t -48.42 -51.24 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.29 -52.95 63.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.23 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 mtp -53.86 -57.45 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 35' ' ' VAL . 39.0 mt -53.38 -59.57 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' CYS . 38.7 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.76 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 21.4 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . . . -175.18 -167.07 33.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.2 mt -117.92 150.8 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HD3' ' A' ' 90' ' ' ARG . 60.1 t -142.83 113.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 6.0 pt-20 -74.16 121.74 21.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.09 141.81 34.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 39.8 m-70 -113.28 93.98 28.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 57' ' ' HIS . 3.4 p-80 -166.21 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 109.636 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.16 -1.59 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.28 46.63 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 160.26 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.72 107.26 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 21.9 ttm180 -117.01 139.63 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.03 138.13 14.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -113.24 152.76 29.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.6 mt-10 -75.56 -174.97 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -73.36 -54.01 9.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.64 -34.68 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 70' ' ' GLU . 5.4 mm-40 -55.59 125.93 23.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -83.77 131.16 34.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG13 ' HA ' ' A' ' 32' ' ' ALA . 2.4 m -63.05 -38.35 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.12 -57.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 71' ' ' SER . 93.1 t -81.38 -31.61 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.99 -35.01 66.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.04 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.6 m0 -47.82 140.87 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.97 -55.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.68 60.03 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.41 113.85 0.45 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.74 55.95 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 13.0 m -64.4 138.16 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 7.7 ptt180 -129.48 -175.63 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -117.79 111.88 19.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.21 134.63 39.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 9.7 t80 -97.1 121.06 38.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HD3' HG11 ' A' ' 54' ' ' VAL . 8.7 ptm180 -149.11 146.09 27.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.77 107.96 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t -88.49 93.68 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.22 126.87 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -102.46 98.78 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 t -88.06 111.23 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 97.2 m-85 -83.25 138.43 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -101.21 158.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.94 44.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.22 50.01 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -116.22 54.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -57.56 143.12 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -146.81 116.01 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -80.7 154.48 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 3.7 m -142.55 142.29 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.74 106.38 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 170.66 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.0 154.66 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.59 97.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.95 -53.0 0.38 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.53 156.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 p -123.64 179.94 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -58.65 -19.12 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.1 tpt180 -79.35 -49.08 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.77 -54.86 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.22 -55.89 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 32.3 t -45.92 -55.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 108.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.78 -52.02 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 19.0 mtp -56.28 -60.2 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -52.81 -52.57 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' CYS . 11.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.669 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 26.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.54 -176.65 46.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.4 mt -106.24 151.5 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 90' ' ' ARG . 54.5 t -138.15 116.89 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -76.36 116.11 16.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 144.28 27.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 38.1 m-70 -112.7 94.79 30.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.27 4.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.5 p-80 -167.18 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.89 -1.87 28.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.29 49.42 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.73 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.12 161.5 19.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.73 ' H ' HD13 ' A' ' 62' ' ' LEU . 3.4 mp0 -145.14 106.16 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -112.86 139.84 48.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -104.19 141.52 15.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 152.48 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -176.7 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -73.75 -55.48 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.94 128.19 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -87.0 122.7 31.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 1.7 m -56.27 -38.69 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.22 -62.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.58 -39.17 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' SER . 97.6 t -78.32 -30.61 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.5 tt0 -73.75 -34.67 64.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.92 62.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 45.0 m0 -44.84 142.06 2.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.4 p -84.08 119.53 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.01 -46.56 1.07 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.128 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.22 111.61 3.37 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -76.17 57.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 34.8 m -58.96 142.94 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 8.5 ptt180 -132.27 172.28 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 53' ' ' LEU . 34.1 m-85 -108.59 113.69 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.0 t -100.0 130.61 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.669 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -91.47 118.88 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.7 ptm180 -146.94 146.17 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.55 24.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -104.07 107.14 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.4 t -85.06 92.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.7 t -70.78 133.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -107.56 98.66 8.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 35' ' ' VAL . 4.6 t -97.3 117.63 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 72.4 m-85 -94.17 146.46 23.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -108.39 146.19 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.57 -51.65 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -45.26 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.22 -29.56 2.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.44 103.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.47 121.42 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 108.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -107.86 161.83 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -132.01 146.59 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.33 140.0 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.83 116.29 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' VAL . 27.8 m -139.91 161.19 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.53 152.42 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 97.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.62 -47.31 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.15 151.47 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 p -118.86 -175.83 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -66.92 -10.48 49.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -37.38 19.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -62.77 -56.09 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 14' ' ' VAL . 47.8 t -51.57 -60.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.922 ' O ' HG13 ' A' ' 40' ' ' VAL . 47.1 t -43.33 -49.24 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 40' ' ' VAL . 3.0 mm-40 -63.57 -36.9 85.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.8 mtp -73.48 -25.19 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 35' ' ' VAL . 44.4 mt -89.9 -56.18 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 36' ' ' CYS . 33.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . 25.8 m95 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.58 -172.96 23.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.2 mt -113.75 149.81 34.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 88' ' ' VAL . 52.3 t -139.01 118.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.71 130.74 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.548 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -109.92 143.5 39.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -114.06 92.65 27.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.58 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.73 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.6 p-80 -166.23 -42.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.93 -3.67 27.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.83 51.69 13.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.55 162.93 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.85 107.68 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -118.33 141.4 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.32 130.13 10.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -103.33 160.3 14.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.96 -177.82 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -49.79 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -60.42 -26.23 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -50.96 131.27 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -77.16 108.53 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -42.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.0 t -64.27 -64.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -48.02 -24.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 71' ' ' SER . 59.0 t -88.1 -43.15 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.7 pt20 -75.84 -7.52 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -86.75 -33.98 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.33 73.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -44.76 140.79 3.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 172.99 15.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.44 137.93 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.57 -44.44 2.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -39.7 -39.66 1.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 59.6 40.77 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 20.3 m -60.15 153.27 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.44 -175.81 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.1 m-85 -115.94 141.03 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG21 ' SG ' ' A' ' 56' ' ' CYS . 89.2 t -123.62 130.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 51' ' ' TRP . 7.9 t80 -91.4 117.5 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -151.81 145.13 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.24 7.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -111.83 107.58 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.97 91.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 24' ' ' VAL . 38.5 t -77.49 127.96 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -98.77 98.53 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.4 t -97.22 130.26 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 91.5 m-85 -102.75 140.47 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 p -91.65 146.8 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 3.1 mt-10 -44.84 -39.67 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.16 -45.75 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.36 -25.2 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 113.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.86 124.39 32.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.41 164.54 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 159.57 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -147.39 140.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -95.43 104.88 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 m -128.97 166.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -124.91 153.03 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 98.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 157.55 -51.12 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.41 139.91 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.91 179.05 4.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -58.61 -16.69 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tpt180 -81.6 -35.66 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -63.76 -46.92 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 14' ' ' VAL . 78.9 t -59.17 -46.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.17 -53.35 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.47 -55.37 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -61.17 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 14' ' ' VAL . 72.4 mt -45.51 -55.62 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 12.0 m95 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.67 -175.97 34.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.3 mt -112.03 151.41 29.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.61 HG11 HH11 ' A' ' 90' ' ' ARG . 90.2 t -131.25 124.57 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -89.49 113.13 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.24 144.8 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -114.92 90.85 24.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.08 3.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.768 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.5 p-80 -166.08 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -100.63 -3.07 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.12 46.42 19.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.07 157.19 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.55 106.77 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -117.51 150.38 39.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.77 136.37 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.67 157.12 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.1 mt-10 -73.95 -171.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.28 -52.97 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -50.75 -24.4 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.96 132.3 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -82.92 115.09 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLN . 1.3 m -53.04 -39.25 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.62 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.78 -38.76 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 71' ' ' SER . 87.0 t -77.84 -32.72 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.97 -33.37 65.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.248 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.8 -33.16 58.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.6 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 43.6 m0 -58.61 147.9 68.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.75 36.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.8 p -62.5 -47.07 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -87.83 40.23 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ASP . . . -151.87 73.92 0.26 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLY . 0.5 OUTLIER -39.44 -57.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 19.4 m 58.44 155.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -145.31 172.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 7.2 m-85 -113.31 120.37 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 86' ' ' ARG . 2.5 t -101.62 153.48 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.3 t80 -112.17 113.25 25.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.61 HH11 HG11 ' A' ' 54' ' ' VAL . 1.3 mtp180 -135.33 153.29 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.32 10.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -115.34 107.25 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.59 91.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 14' ' ' VAL . 94.3 t -75.28 140.91 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -117.78 99.34 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.747 HG22 ' CB ' ' A' ' 87' ' ' PHE . 76.0 t -105.22 133.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 55.1 m-85 -100.51 141.66 33.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' GLY . 65.7 p -88.86 139.48 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CG ' ' NE ' ' A' ' 90' ' ' ARG . 5.2 mt-10 -44.09 -39.0 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.82 -42.48 90.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 139.77 -27.72 2.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -63.13 102.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.45 162.21 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 108.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.678 ' NE ' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -149.37 174.03 12.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 30.2 m -134.56 144.06 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.55 146.59 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.39 106.86 19.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 29.3 m -128.37 156.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.64 176.87 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 85.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.15 -52.52 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.25 136.93 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -105.23 -173.69 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.54 -19.04 55.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -82.24 -48.1 11.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -45.76 -48.59 15.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' MET . 79.2 t -64.42 -58.32 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 t -42.78 -30.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.315 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' VAL . 3.2 mm-40 -81.67 -44.24 17.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.594 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 27.4 mtp -59.39 -50.95 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' NE ' ' A' ' 22' ' ' ARG . 14.2 mt -57.31 -58.62 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 36' ' ' CYS . 5.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.64 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 19.5 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.18 -159.85 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.1 mt -121.57 152.52 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 23.7 t -140.59 113.35 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -78.75 117.92 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.56 145.12 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -112.8 94.5 29.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.656 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.2 p-80 -167.08 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.652 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.01 -2.22 30.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.74 47.99 21.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.755 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -114.78 161.81 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.755 ' H ' HD13 ' A' ' 62' ' ' LEU . 12.4 mp0 -144.93 109.82 5.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -120.41 144.3 48.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.34 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -112.6 137.63 14.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -111.82 153.79 26.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -77.55 -176.17 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -70.35 -55.01 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -45.6 -41.1 9.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -49.55 126.44 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -86.08 119.66 26.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -51.31 -40.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.95 -63.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.71 -36.87 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 71' ' ' SER . 59.8 t -80.07 -34.34 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -71.06 -32.17 68.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.66 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.66 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 37.6 m0 -45.42 142.65 3.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.9 30.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.0 125.0 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.25 -69.5 0.53 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.19 126.35 36.0 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -76.72 57.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 22.6 m -51.05 142.56 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.41 165.38 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.747 ' CB ' HG22 ' A' ' 14' ' ' VAL . 17.7 m-85 -101.17 164.44 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG11 ' HE ' ' A' ' 90' ' ' ARG . 24.5 t -143.15 143.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.64 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.0 t80 -102.78 113.92 27.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HE ' HG11 ' A' ' 88' ' ' VAL . 78.9 mtt180 -134.29 164.91 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 1.2 ptpp? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -104.68 108.06 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.7 97.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.63 124.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.58 114.79 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 35' ' ' VAL . 38.1 t -113.01 105.62 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' CYS . 73.2 m-85 -84.32 159.55 20.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -116.6 153.51 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.964 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.57 -48.91 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -50.0 -45.66 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.68 -34.68 2.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.17 133.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . 30.3 p -94.23 130.95 40.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -134.23 112.2 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -104.82 156.96 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.503 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.6 m -133.34 145.43 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.27 114.42 21.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -138.54 169.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -134.61 160.08 39.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.6 -50.0 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.62 146.37 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 p -115.76 179.17 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.39 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.402 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.97 -42.55 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -55.02 -59.6 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 14' ' ' VAL . 59.5 t -44.27 -61.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' O ' HG22 ' A' ' 40' ' ' VAL . 42.7 t -43.12 -62.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.4 mm-40 -51.69 -39.58 58.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.503 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 79.3 mtp -68.87 -33.73 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' VAL . 85.6 mt -80.02 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 33.6 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 91' ' ' LYS . 29.9 m95 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.39 6.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 53' ' ' LEU . 5.9 mt -130.61 149.89 52.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 88' ' ' VAL . 59.0 t -137.69 114.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.5 pt-20 -73.92 134.5 43.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -115.33 143.37 45.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -113.94 93.13 28.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 55.04 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.771 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.714 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.3 p-80 -165.7 -42.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -3.48 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.75 50.74 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.29 160.91 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.24 109.38 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.2 ttp180 -117.99 142.59 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.1 133.91 11.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.425 HD21 ' HE1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -110.81 155.27 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -62.92 -172.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.61 -51.46 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -57.5 -22.53 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 136.79 34.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 74' ' ' GLU . 1.5 m -86.41 107.5 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -46.29 -40.7 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 78.2 t -64.9 -61.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' A' ' 71' ' ' SER . 3.1 mt-10 -48.01 -38.49 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -78.68 -33.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -71.45 -29.98 65.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.9 -29.03 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.42 96.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -42.69 147.17 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.19 35.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 81' ' ' VAL . 94.3 t -94.53 69.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.0 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -91.35 132.3 11.21 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.96 58.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 58.8 m -52.78 153.13 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.14 167.89 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.425 ' HE1' HD21 ' A' ' 66' ' ' LEU . 22.1 m-85 -104.69 147.11 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' VAL . 90.0 t -129.07 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.4 t80 -104.06 117.62 34.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -149.33 153.77 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -101.39 113.41 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.04 98.56 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.73 132.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -105.25 102.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -97.37 128.56 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 68.8 m-85 -100.69 147.64 25.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.44 148.51 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.94 -52.31 7.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -45.98 -41.75 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.93 -26.76 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 142.05 16.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.25 134.37 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.269 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -132.91 146.49 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 150.7 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 132.12 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 108.01 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.3 175.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -138.89 155.67 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.85 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 156.1 -47.61 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.07 137.96 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 p -103.41 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.29 -24.79 65.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -78.44 -44.14 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 38' ' ' MET . 14.2 m80 -47.92 -50.53 26.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.7 t -57.78 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.906 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.0 t -43.62 -50.69 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -63.93 -43.05 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 1.4 mmm -66.73 -19.64 65.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.4 mt -91.86 -57.84 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 36' ' ' CYS . 10.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 50.1 m95 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.91 -148.22 7.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 87' ' ' PHE . 6.4 mt -132.68 150.38 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.7 t -136.87 113.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 pt-20 -74.19 124.55 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.92 143.4 33.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.47 93.87 29.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.4 p-80 -167.15 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.32 -3.07 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.03 47.16 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.21 162.35 16.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -144.1 108.82 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 32.9 ttm-85 -116.44 142.24 47.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.19 135.18 12.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.94 150.73 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.0 mm-40 -74.49 -176.83 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -73.41 -55.91 5.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -44.8 -34.87 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.24 124.27 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -80.52 116.59 20.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -49.97 -42.16 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' ALA . 61.7 t -65.33 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.94 -38.1 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 71' ' ' SER . 99.3 t -78.68 -32.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -73.38 -31.64 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.52 -32.51 60.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.22 77.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.7 m0 -47.22 148.78 1.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.81 30.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.4 t -96.92 66.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.68 -47.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.518 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -94.87 129.38 9.88 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.66 59.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 45.1 m -55.76 143.57 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.051 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -141.99 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 53' ' ' LEU . 39.6 m-85 -105.18 149.98 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' VAL . 98.5 t -131.02 143.81 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 11.5 t80 -104.61 118.7 37.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.0 ptm180 -154.81 152.23 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.34 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.45 107.18 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.3 t -88.28 95.3 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -82.4 127.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.93 107.5 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 35' ' ' VAL . 25.4 t -104.12 133.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 77.7 m-85 -112.58 138.08 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -90.11 140.55 29.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.31 -42.46 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -41.43 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 138.26 -27.56 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.32 124.18 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.51 147.03 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' NH2' ' OG ' ' A' ' 16' ' ' SER . 1.5 ptt180 -163.12 144.85 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -119.84 153.57 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.67 144.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.13 105.85 16.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.64 164.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.91 174.63 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.98 82.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.59 -51.04 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 144.26 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 p -107.97 -178.39 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -57.08 -33.09 66.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.3 tpt180 -68.82 -46.45 68.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -45.43 -60.01 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 14' ' ' VAL . 36.8 t -45.1 -63.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 40' ' ' VAL . 18.2 t -41.53 -67.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.623 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 4.5 mm-40 -47.24 -45.5 23.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -18.49 65.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 14' ' ' VAL . 98.5 mt -93.57 -59.29 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 36' ' ' CYS . 2.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.626 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 58.5 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.89 -168.94 28.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.1 mt -113.93 151.08 32.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.64 115.55 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -81.34 121.44 26.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.35 145.33 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.349 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.9 m-70 -113.14 94.05 28.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.411 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 56.9 4.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.692 ' CD2' HD21 ' A' ' 60' ' ' LEU . 6.7 p-80 -167.75 -41.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.42 -2.2 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.28 47.97 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.723 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -115.82 161.95 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.723 ' H ' HD13 ' A' ' 62' ' ' LEU . 8.8 mp0 -145.28 108.56 4.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 15.6 tpp180 -117.7 150.84 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -115.99 136.04 12.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -109.86 155.15 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 34.1 mt-10 -79.94 -178.73 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.48 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -68.07 -54.97 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -43.65 -46.55 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -43.52 130.98 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.65 113.23 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -46.64 -41.92 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' ALA . 56.5 t -65.13 -59.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.48 -39.0 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -78.52 -29.68 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -75.05 -31.5 61.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.65 -37.28 62.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.15 79.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 47.4 m0 -46.23 143.09 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.74 34.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.69 121.26 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.42 -34.9 5.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.76 -33.68 4.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 59.26 30.36 20.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.4 m -57.43 155.07 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -139.12 -179.01 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 53' ' ' LEU . 6.5 m-85 -118.0 124.31 47.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 86' ' ' ARG . 10.8 t -104.21 151.21 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.1 t80 -111.53 114.46 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HE ' HG11 ' A' ' 88' ' ' VAL . 81.5 mtt180 -135.01 151.96 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 51' ' ' TRP . 3.6 ptpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 91.4 m-70 -106.39 109.86 21.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -92.18 92.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.39 133.8 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -105.9 104.28 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.2 t -98.15 133.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 61.7 m-85 -109.25 143.04 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.75 147.0 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -39.64 -59.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -40.47 -45.0 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.27 -30.0 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.16 126.11 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.28 130.51 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 39' ' ' LEU . 15.7 ptp180 -133.99 147.5 51.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 p -121.23 142.67 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 14.1 m -124.49 146.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.43 117.04 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 10' ' ' HIS . 33.8 m -136.75 165.52 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -127.85 176.89 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.7 78.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.26 -49.29 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.1 146.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -112.95 177.25 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -56.07 -34.61 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -66.34 -46.34 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -45.99 -59.43 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 53' ' ' LEU . 41.1 t -50.07 -60.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.898 ' O ' HG22 ' A' ' 40' ' ' VAL . 40.6 t -41.93 -51.1 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 mm-40 -62.75 -42.44 99.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.557 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 88.1 mtp -66.91 -22.47 65.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 22' ' ' ARG . 74.9 mt -88.79 -57.58 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 36' ' ' CYS . 11.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 52.8 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.58 173.99 46.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.6 mt -97.31 148.31 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG21 ' HD3' ' A' ' 90' ' ' ARG . 79.6 t -136.76 113.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.59 134.31 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.57 143.78 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.7 m-70 -113.9 93.42 29.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.721 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -166.58 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.39 -3.14 29.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.23 49.15 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.88 158.53 24.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.96 109.9 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.8 tpp180 -116.42 138.79 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -101.02 145.0 16.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.64 151.51 44.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 15.1 mt-10 -77.0 -176.14 3.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -70.9 -54.95 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 35.8 p-80 -44.52 -43.04 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -43.58 134.36 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.11 110.83 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -45.61 -40.37 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.76 -63.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -48.11 -39.93 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -30.89 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tt0 -73.59 -34.25 64.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.32 -33.47 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.35 84.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.9 m0 -42.85 139.66 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.0 p -93.34 120.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.7 -63.33 0.63 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.9 113.54 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.96 60.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 75.0 m -57.96 153.55 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.7 177.09 10.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' HB3' HD22 ' A' ' 53' ' ' LEU . 26.8 m-85 -114.13 120.51 40.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 86' ' ' ARG . 42.7 t -100.82 132.71 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.37 117.1 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.498 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.5 ptm180 -146.94 152.88 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 4.8 ptpt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.54 18.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -116.76 114.54 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.9 m -88.06 42.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.1 t -32.94 126.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.79 115.36 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 35' ' ' VAL . 37.6 t -110.97 88.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -59.17 145.55 42.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.3 m -113.26 146.39 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -42.24 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -43.13 78.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 105.58 18.67 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.14 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t 63.24 133.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -151.8 148.86 28.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 11' ' ' VAL . 48.8 m -122.23 146.5 47.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.953 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -128.66 131.38 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.8 105.96 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -124.57 163.48 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.82 155.95 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 99.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.99 -49.44 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 128.16 32.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -95.39 -178.76 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -58.97 -16.76 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 4.4 tpt180 -84.94 -45.5 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -48.28 -46.77 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 55.3 t -58.79 -49.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 t -50.64 -47.74 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.45 -58.75 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.8 mmm -48.17 -59.28 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 35' ' ' VAL . 46.4 mt -51.7 -57.67 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 36' ' ' CYS . 48.2 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 57.9 m95 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.87 -136.05 2.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.7 mt -141.18 157.78 44.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.64 113.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 4.6 pt-20 -76.66 120.26 21.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.58 142.82 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' ND1' ' OG ' ' A' ' 85' ' ' SER . 35.2 m-70 -112.77 94.92 31.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.567 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.453 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -75.04 57.94 4.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 60' ' ' LEU . 1.6 p80 -171.13 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -104.61 -1.66 26.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.69 51.38 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.11 161.75 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.741 ' H ' HD13 ' A' ' 62' ' ' LEU . 4.2 mp0 -145.75 108.26 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 5.4 tpm_? -115.41 140.92 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -103.27 92.91 0.96 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 2.0 pt? -61.92 142.84 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 mt-10 -67.17 -172.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -78.53 -53.11 7.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -52.02 -23.93 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.57 128.79 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -86.41 122.13 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.5 m -57.38 -38.39 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.09 -64.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -46.81 -36.76 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 71' ' ' SER . 79.3 t -80.5 -36.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -68.53 -34.97 76.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.1 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.19 66.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 48.4 m0 -58.69 144.05 80.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.04 32.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.68 -68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.55 58.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.33 -55.7 6.61 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 60.52 32.25 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 33.4 m -59.82 163.12 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 175.84 10.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 53' ' ' LEU . 31.7 m-85 -111.92 142.92 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.92 141.51 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 6.7 t80 -97.9 118.55 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -157.22 147.19 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m-70 -113.96 107.1 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.7 t -89.14 91.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' HB ' HG23 ' A' ' 24' ' ' VAL . 44.3 t -73.72 128.85 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -98.06 100.86 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG21 HG11 ' A' ' 35' ' ' VAL . 25.0 t -95.8 127.35 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 98.5 m-85 -102.49 143.47 32.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 9.6 t -93.45 138.46 31.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.87 -27.22 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -69.65 -34.41 73.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.7 -16.69 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -56.5 161.78 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -136.46 110.77 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.27 157.4 21.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.8 m -128.78 163.48 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 39' ' ' LEU . 2.3 m -147.78 136.59 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.7 104.03 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -133.84 175.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.06 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' NE2' ' A' ' 10' ' ' HIS . . . -79.98 76.16 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.37 144.52 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 67.1 p -106.2 -178.0 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -53.21 -58.88 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.0 tmm_? -45.46 -57.39 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -38.99 -41.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG11 HG21 ' A' ' 14' ' ' VAL . 55.8 t -71.85 -47.89 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 t -51.51 -45.59 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -61.32 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.84 -51.49 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 24' ' ' VAL . 79.0 mt -57.38 -39.09 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' ' HB3' ' A' ' 91' ' ' LYS . 61.2 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.03 -179.65 48.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.9 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.8 mt -102.28 157.35 16.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 88' ' ' VAL . 22.9 t -139.43 113.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 1.9 pt-20 -73.79 104.37 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.02 142.99 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.85 94.4 33.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.5 Cg_endo -74.98 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.717 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.82 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.38 -4.16 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.41 53.01 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.59 160.79 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -145.24 111.33 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.7 tpp180 -120.05 143.54 48.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -109.6 137.22 14.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -109.05 169.57 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.03 -170.62 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.9 p-10 -79.68 -20.39 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -83.82 1.5 42.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 31' ' ' THR . 5.9 mm-40 -99.73 118.28 35.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 112.44 14.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -49.01 -42.51 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 28' ' ' ALA . 12.6 t -62.41 -59.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.85 -40.3 55.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.9 t -76.07 -28.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -77.83 -30.07 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.89 -29.53 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.67 -24.58 59.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 24.4 m0 -48.53 148.49 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.14 31.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.28 139.42 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.75 -57.81 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.14 117.19 8.27 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 21.7 m-20 -81.05 54.46 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 7.6 m -54.55 136.65 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 9.5 ptt180 -126.9 176.15 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CE1' HG12 ' A' ' 72' ' ' VAL . 17.1 m-85 -108.22 111.47 23.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' VAL . 6.7 t -99.98 131.26 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.8 t80 -91.76 115.01 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 88' ' ' VAL . 42.7 mtp180 -133.06 148.27 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 2.6 ptpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.15 11.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.02 109.51 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -88.75 92.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.56 128.28 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -101.43 128.55 47.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 39' ' ' LEU . 24.4 t -125.04 134.15 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 87.7 m-85 -111.81 141.66 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -99.71 151.87 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -46.64 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.46 -43.54 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.88 -31.49 2.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.71 137.86 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.0 p -105.17 146.18 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.235 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -144.97 141.24 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -126.95 155.33 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.452 ' HB ' ' HE3' ' A' ' 38' ' ' MET . 4.2 m -138.1 137.86 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.55 106.13 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.25 164.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -101.62 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -171.41 -39.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 143.73 22.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 68.0 p -108.9 -172.9 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -55.95 -59.57 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tmm_? -45.81 -55.99 5.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -41.03 -41.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 32' ' ' ALA . 46.0 t -72.22 -43.2 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.2 t -56.29 -48.47 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.89 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE3' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -50.11 -56.06 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.6 mt -52.76 -39.97 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 25.4 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.53 -152.52 6.9 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.917 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.1 mt -125.72 147.69 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 ' HD3' ' A' ' 90' ' ' ARG . 70.2 t -136.66 113.75 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.63 130.03 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -108.28 144.4 35.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.66 93.59 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.4 Cg_endo -74.98 55.88 4.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.745 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.9 p-80 -167.02 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.69 -3.36 26.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.31 51.12 14.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.45 163.57 16.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -145.04 108.64 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -116.46 141.9 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.0 154.02 17.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -129.84 161.41 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -90.51 -170.91 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.6 p30 -79.59 -23.79 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 47.4 p-80 -79.15 -9.97 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.548 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 8.3 mm-40 -84.72 120.29 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.01 119.02 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -53.7 -41.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.4 t -64.15 -54.05 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.1 -42.58 73.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.41 -28.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -75.97 -33.34 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.0 -25.51 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -36.85 76.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -46.43 143.1 4.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.19 31.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.6 t -93.5 66.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.23 -45.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.33 136.74 13.16 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -81.17 54.01 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.2 m -51.22 145.42 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -147.0 169.5 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' HD22 ' A' ' 53' ' ' LEU . 30.0 m-85 -103.07 123.55 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.661 HG21 ' SG ' ' A' ' 56' ' ' CYS . 55.0 t -101.5 150.7 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 3.3 t80 -110.84 114.74 28.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.2 ptm180 -145.19 159.16 43.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.12 23.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.75 109.81 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -88.19 93.89 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.8 t -75.08 129.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -103.99 101.84 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.95 126.41 48.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.538 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 96.2 m-85 -99.06 142.75 30.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLY . 13.8 p -102.99 148.28 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.46 -49.57 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -43.36 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.49 -24.88 3.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.82 114.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.17 123.82 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.96 148.91 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -124.77 151.53 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 39' ' ' LEU . 6.8 m -139.63 136.83 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.79 119.71 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' CG2' HG23 ' A' ' 12' ' ' VAL . 34.8 m -145.97 174.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.62 175.69 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 66.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.01 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.33 157.63 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.777 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 p -120.61 -177.02 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -67.4 -9.96 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.6 tpt180 -86.41 -41.87 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -55.6 -59.67 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LEU . 52.9 t -50.08 -62.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.804 ' O ' HG22 ' A' ' 40' ' ' VAL . 50.0 t -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.597 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -59.69 -44.22 93.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 83.9 mtp -61.61 -30.75 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 73.2 mt -82.14 -64.84 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 36' ' ' CYS . 18.7 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 9.9 m95 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.34 -169.81 29.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 87' ' ' PHE . 7.6 mt -109.86 153.58 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.0 t -141.18 114.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.9 pt-20 -72.75 117.83 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.64 143.19 31.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.5 m-70 -112.96 94.93 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 56.77 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.671 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.0 p-80 -167.87 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.87 -1.26 29.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.15 47.19 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -112.7 162.06 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.747 ' H ' HD13 ' A' ' 62' ' ' LEU . 11.5 mp0 -145.79 107.6 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.6 ttp85 -116.73 138.01 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.94 131.95 10.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.39 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.5 mt-10 -69.49 -173.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.83 -53.08 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -49.25 -32.57 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.49 127.04 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -77.76 107.08 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.055 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -44.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.6 t -62.06 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -46.92 -25.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 71' ' ' SER . 96.8 t -86.75 -41.77 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.02 -5.53 51.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -97.49 -23.94 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -27.53 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 38.7 m0 -43.63 146.71 0.92 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.37 31.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.9 p -83.46 107.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.76 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.89 103.62 1.17 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.69 59.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -60.95 152.37 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HD2' ' CD1' ' A' ' 15' ' ' TYR . 8.7 ptt180 -136.38 176.16 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 53' ' ' LEU . 40.5 m-85 -110.05 113.31 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.8 129.79 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 2.6 t80 -91.61 115.28 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -144.7 160.64 40.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.09 15.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.29 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.13 93.63 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.24 130.48 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -105.04 105.02 14.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.26 133.18 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 52.1 m-85 -102.19 146.48 27.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -104.64 145.14 30.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.47 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.58 -46.05 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 137.94 -27.56 2.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 126.79 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.24 129.24 46.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.827 ' HE ' HD22 ' A' ' 39' ' ' LEU . 5.4 ptm85 -137.61 146.19 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -130.38 160.51 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.7 m -137.48 151.0 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.75 113.2 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.4 176.95 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -142.85 154.61 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 161.39 -51.92 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.01 155.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -120.49 178.15 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -21.32 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -76.27 -44.38 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -51.29 -57.97 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.65 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG12 ' CD1' ' A' ' 39' ' ' LEU . 72.3 t -55.57 -52.86 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' O ' HG22 ' A' ' 40' ' ' VAL . 52.5 m -47.46 -40.6 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.598 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 8.7 mm-40 -75.76 -43.49 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 84.0 mtp -63.65 -23.36 67.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.827 HD22 ' HE ' ' A' ' 22' ' ' ARG . 70.8 mt -87.65 -60.47 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 36' ' ' CYS . 13.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.598 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 12.3 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.2 -178.1 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.4 mt -105.77 151.61 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 90' ' ' ARG . 73.8 t -136.72 113.45 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 4.5 pt-20 -73.28 133.45 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.59 142.3 46.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.4 m-70 -114.76 94.06 35.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.74 4.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.789 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.0 p-80 -168.38 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.06 -3.45 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.81 49.93 19.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.69 159.14 20.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -144.86 107.54 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -119.43 143.34 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -107.1 138.7 14.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.38 150.04 37.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -173.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -73.39 -54.28 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -48.04 -34.09 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 126.08 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.91 125.8 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 2.0 m -58.53 -38.39 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.58 -62.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.58 -37.19 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 71' ' ' SER . 90.8 t -80.32 -34.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -69.52 -34.29 74.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.77 62.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.23 77.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.9 m0 -50.19 150.94 3.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.1 p -97.61 117.87 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.77 -63.18 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 165.18 22.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -95.66 41.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 18.5 p -39.73 152.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -166.98 174.34 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -107.04 163.83 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' VAL . 70.0 t -137.71 152.15 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 3.2 t80 -116.46 114.69 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.596 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.1 ptm180 -149.6 160.5 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.598 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.75 6.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -110.95 123.81 50.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.4 m -87.82 40.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.0 t -29.91 121.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.78 110.77 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 39' ' ' LEU . 10.2 t -102.38 94.15 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 57.5 m-85 -66.61 146.83 54.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 25.6 p -116.52 144.99 43.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.09 -41.78 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -45.26 81.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 121.49 -13.23 9.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.87 -59.7 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 47.5 t 68.31 129.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -121.56 165.3 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -132.05 135.17 46.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.461 HG21 HG13 ' A' ' 35' ' ' VAL . 3.1 m -125.64 132.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -85.16 104.25 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 156.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -79.74 1.72 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 89.23 -38.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -23.08 53.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.35 175.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -127.26 -169.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -67.59 -31.71 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.55 -47.72 71.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.39 -62.25 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG13 HG21 ' A' ' 24' ' ' VAL . 68.8 t -47.95 -48.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.2 t -53.42 -56.12 19.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.14 -45.76 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.6 mtp -61.61 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.4 mt -56.3 -52.55 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 36' ' ' CYS . 59.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 71.0 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.46 37.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.5 mt -100.28 150.82 22.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.6 t -136.65 114.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' OE1' HD22 ' A' ' 66' ' ' LEU . 2.4 pt-20 -77.63 126.75 31.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.47 145.15 36.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 48.1 m-70 -116.11 93.17 37.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.35 3.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.719 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.8 p-80 -166.07 -42.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.38 -2.66 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.81 49.97 16.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.12 159.74 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -145.15 107.48 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NE ' ' OE2' ' A' ' 55' ' ' GLU . 17.3 ttp180 -116.82 147.68 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.7 130.92 9.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD22 ' OE1' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -106.85 155.0 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.25 173.1 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -65.22 -59.59 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.448 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 12.5 p80 -40.91 -44.38 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 6.2 mm-40 -49.95 127.88 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -79.38 116.59 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -43.72 -44.81 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.62 HG21 ' HA ' ' A' ' 28' ' ' ALA . 17.4 t -65.28 -63.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -46.9 -24.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 71' ' ' SER . 86.7 t -88.2 -44.65 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.97 -4.77 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -90.3 -23.43 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.78 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.8 m0 -45.97 137.99 5.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.3 Cg_endo -75.01 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.44 146.06 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -53.78 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 121.62 25.96 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.04 51.87 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 16.4 m -49.03 160.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -164.02 170.77 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -104.47 152.09 22.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' VAL . 59.2 t -135.99 128.48 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.9 t80 -91.37 118.33 30.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -151.0 141.86 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 1.2 ptpt . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -112.77 116.83 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.7 m -90.17 35.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' VAL . 12.9 t -31.91 131.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -100.7 128.79 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.6 t -119.45 103.87 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 84.5 m-85 -80.35 144.18 32.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.05 150.01 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.66 -45.61 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -44.1 76.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.75 -27.46 3.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.99 116.75 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.774 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.48 146.4 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 22' ' ' ARG . 2.7 ptm85 -147.75 147.55 30.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 9.6 p -115.69 147.84 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -131.95 128.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.33 111.63 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.69 148.13 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -92.75 172.56 8.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.94 64.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -159.38 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 159.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 p -127.07 -173.13 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -68.03 -9.71 47.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.59 20.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -67.27 -57.6 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.3 t -48.26 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.907 ' O ' HG22 ' A' ' 40' ' ' VAL . 46.5 t -42.18 -39.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 5.3 mm-40 -78.15 -43.35 29.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmm -63.01 -21.72 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 14' ' ' VAL . 56.0 mt -89.91 -62.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 36' ' ' CYS . 12.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 54.9 m95 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.49 -153.0 9.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.8 mt -128.92 151.56 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 50.9 t -138.65 116.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.77 125.75 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.48 144.08 36.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.6 m-70 -113.88 93.35 28.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.747 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -167.63 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.747 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.34 -4.92 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.2 51.26 12.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.29 158.96 25.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -144.95 107.8 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -116.72 137.05 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.82 132.69 11.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.29 154.59 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.306 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.0 mt-10 -68.67 -170.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -49.74 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -57.82 -25.35 60.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.86 134.57 51.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -82.67 108.86 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -45.27 -44.16 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.6 t -62.37 -41.16 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.1 mt-10 -69.95 -29.3 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 66' ' ' LEU . 89.8 t -84.73 -28.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.6 pt20 -89.11 -20.79 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.22 -32.23 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.02 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -43.02 137.71 2.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 108.04 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.37 20.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.08 -38.45 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.75 59.68 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.24 120.94 0.78 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.26 53.63 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 71.6 m -55.37 147.28 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.71 -179.26 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.74 149.24 38.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -132.02 131.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 7.8 t80 -92.33 116.3 28.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -151.96 149.79 29.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.01 9.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -91.37 114.79 27.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.5 m -89.62 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 11' ' ' VAL . 18.6 t -29.79 125.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 3.1 mtpp -99.91 115.72 30.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 35' ' ' VAL . 34.3 t -107.95 98.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 59.0 m-85 -67.42 151.2 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -114.41 149.57 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.86 -44.13 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -54.69 -40.61 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 131.86 -32.21 2.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 118.77 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 21' ' ' CYS . 30.1 p -99.3 110.01 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.8 mmt180 -104.25 157.28 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.3 p -132.09 137.57 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.37 131.39 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -81.57 104.51 12.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 30' ' ' ALA . 5.9 m -130.05 155.65 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -90.28 171.68 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 65.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -164.71 -41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . . . -46.61 153.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.0 p -124.38 161.75 25.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 53' ' ' LEU . . . -38.69 -39.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 3.4 tmm_? -51.32 -69.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ARG . 27.7 m80 -38.47 -57.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 14' ' ' VAL . 59.4 t -44.16 -49.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' ARG . 46.1 t -54.21 -55.62 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.81 -53.47 48.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtm -56.27 -58.57 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 14' ' ' VAL . 94.1 mt -52.7 -59.72 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 45.7 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.66 -141.84 4.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.152 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 32' ' ' ALA . 7.4 mt -139.38 154.29 47.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' VAL . 89.2 t -141.57 113.44 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.05 125.45 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.1 144.51 32.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 46.4 m-70 -115.43 92.97 34.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.76 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.4 p-80 -166.58 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.94 -2.95 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.57 52.34 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.9 160.76 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -145.12 107.54 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 1.6 ttp180 -115.2 139.8 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.73 145.82 15.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 155.22 43.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.6 mm-40 -72.19 -171.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.514 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -84.65 -41.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -64.44 -18.03 64.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -80.12 112.17 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' CA ' ' A' ' 32' ' ' ALA . 1.6 m -53.59 -41.47 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 19.4 t -63.97 -63.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.32 -23.09 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 71' ' ' SER . 67.8 t -88.35 -31.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.8 pt20 -88.95 -6.47 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.93 -23.05 29.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.74 -28.01 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 46.6 m0 -43.72 139.86 2.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.48 133.84 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.41 -63.86 0.35 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.12 145.42 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.36 43.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 2.1 m -45.75 144.79 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.12 -178.35 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -115.27 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -125.45 149.55 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.453 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 12.7 t80 -112.31 114.84 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -152.34 152.43 32.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.63 99.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -141.08 120.53 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.36 76.76 0.16 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.51 128.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.84 116.03 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.57 -83.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -67.1 156.05 88.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.8 24.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -110.44 107.63 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.37 94.23 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.99 127.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -101.94 100.98 11.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 35' ' ' VAL . 11.9 t -98.19 126.1 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 88.9 m-85 -98.12 144.1 27.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.3 t -106.39 150.67 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.18 -52.69 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -45.04 -45.09 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 133.93 -34.25 2.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 125.63 20.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.733 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 26.9 t -97.54 128.09 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.358 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -118.85 116.15 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.4 p -92.43 158.69 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.86 136.6 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.39 105.13 12.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.37 176.76 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -140.52 159.56 41.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.71 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.36 -51.42 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.2 128.97 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -92.11 -178.2 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -65.78 -13.67 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -89.25 -35.69 16.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -58.35 -36.43 73.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 14' ' ' VAL . 55.0 t -70.2 -46.4 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 t -54.98 -46.31 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.67 -58.15 9.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmm -52.08 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 35' ' ' VAL . 95.5 mt -47.73 -64.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -40.56 -62.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.0 162.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -58.23 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -66.03 139.52 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.96 -76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . 51.51 93.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.59 -60.27 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.77 -51.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.27 177.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.56 172.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -64.39 -55.92 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 28.0 m95 63.64 -173.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.68 -169.72 42.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -118.67 150.12 40.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 93' ' ' PHE . 72.2 t -136.9 115.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.7 pt-20 -74.23 129.07 37.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.13 144.02 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.262 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-70 -113.66 93.92 30.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.45 3.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.7 p-80 -166.23 -42.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -101.32 -3.64 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.78 46.63 22.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.86 161.22 17.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.81 109.85 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 3.7 ttp180 -116.43 138.68 51.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.12 138.57 14.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -115.36 156.09 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -171.69 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -77.49 -52.95 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -51.06 -28.21 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.577 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.6 136.82 56.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.2 m -94.82 115.82 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.1 m -51.88 -40.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 60.5 t -65.87 -60.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -50.27 -39.35 44.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 84.7 t -78.06 -30.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.3 tt0 -74.22 -33.16 63.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -73.62 -18.21 61.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.98 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 49.9 m0 -47.15 139.45 7.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.98 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.4 p -72.98 -45.89 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -76.48 59.52 3.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.11 107.16 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.02 61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 21.7 m -57.65 154.43 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -152.31 171.68 17.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -107.26 150.14 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.6 t -130.92 143.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 5.8 t80 -104.19 116.38 32.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.2 ptm180 -150.16 146.58 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -102.84 -16.27 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -122.17 106.34 11.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' CD2' HG21 ' A' ' 54' ' ' VAL . 40.7 t80 179.78 92.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -175.44 -170.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 t -127.44 107.88 10.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.94 130.81 7.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 p -142.96 -58.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m 56.67 107.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -59.26 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -84.65 92.36 8.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.27 150.38 9.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.92 81.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.052 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.76 146.49 31.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.59 140.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.59 76.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.03 19.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' O ' HG22 ' A' ' 26' ' ' VAL . 92.2 m-70 -103.12 110.89 23.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.01 92.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.41 131.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -105.5 103.87 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HG11 ' A' ' 35' ' ' VAL . 20.1 t -97.38 135.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 89.3 m-85 -112.93 144.61 42.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -106.01 147.28 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.77 -51.55 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.64 -44.96 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.93 -27.06 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 114.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.05 155.26 18.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -166.99 137.61 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.2 m -118.99 159.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 13.7 m -136.14 146.23 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.0 108.8 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 35.6 m -126.13 172.61 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.79 155.9 48.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.35 -51.83 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.1 146.81 8.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -114.71 -175.38 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -62.97 -14.34 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -85.7 -44.41 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -50.21 -50.42 49.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.6 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 76.8 t -55.09 -54.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -46.78 -56.0 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.19 -52.17 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.511 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 36.5 mtp -55.91 -56.07 25.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 80.1 mt -56.82 -55.97 27.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 t -47.68 -57.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.4 157.24 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.74 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.76 -62.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -64.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.615 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 61.95 87.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 67.51 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 168.1 9.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.32 -50.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 51' ' ' TRP . 3.6 mm-40 -45.22 163.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.9 m -70.98 -51.49 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 91' ' ' LYS . 69.8 m95 63.78 168.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 107.981 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.31 -175.69 46.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.5 mt -108.01 148.27 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' CD2' ' A' ' 93' ' ' PHE . 86.4 t -136.55 114.08 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.7 pt-20 -72.34 127.59 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.6 m-70 -113.38 94.51 31.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.698 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.9 p-80 -167.39 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -103.14 -4.03 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.67 50.85 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.26 162.19 17.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -144.01 107.68 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.9 tpp180 -115.84 142.28 46.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -108.22 139.92 15.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.14 152.08 35.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -73.75 -171.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -79.47 -52.77 7.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -52.36 -26.74 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.06 129.27 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -50.76 -41.82 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.9 t -64.5 -55.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.59 -40.91 69.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.22 -27.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -77.71 -32.36 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.51 -29.09 59.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.38 90.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 52.2 m0 -47.28 146.62 3.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.32 29.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.42 -54.15 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 51.29 4.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.35 80.94 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' SER . 1.2 m-20 -40.38 -55.17 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 36.3 m 54.6 167.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.958 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -171.53 168.47 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.3 m-85 -102.76 138.87 39.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.436 HG21 ' SG ' ' A' ' 56' ' ' CYS . 99.5 t -120.93 134.87 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -94.41 117.48 30.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.72 140.62 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -94.95 176.69 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 40.33 30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' O ' ' CD2' ' A' ' 93' ' ' PHE . 6.8 p90 -90.06 35.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -124.57 -59.77 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.1 t -112.78 129.58 56.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.03 -84.59 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.51 43.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 m -125.18 167.48 14.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.1 t -144.33 -57.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.92 -58.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -74.33 141.32 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.14 103.54 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -178.05 103.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -165.83 -46.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.68 107.6 0.65 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.22 155.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -110.13 111.93 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.92 94.1 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -78.1 130.81 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -97.36 103.11 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG11 ' CD1' ' A' ' 39' ' ' LEU . 13.0 t -101.8 113.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 90.5 m-85 -89.74 139.68 30.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.5 t -102.66 151.47 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -56.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -44.26 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 132.67 -31.63 2.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.98 120.48 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.03 126.72 34.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.325 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -115.28 98.22 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 m -78.99 149.66 32.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.44 135.67 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.1 112.87 20.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.98 179.85 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -129.5 168.06 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 175.05 -38.36 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.96 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -113.58 -178.55 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -13.84 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -82.08 -46.05 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.11 -47.32 71.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.583 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.0 t -60.15 -53.71 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -47.18 -49.35 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.0 -56.45 21.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.0 mmm -51.86 -56.96 10.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 93.1 mt -50.45 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 t -42.7 -62.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -40.33 111.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.52 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.71 174.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -40.37 124.97 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.03 -53.16 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt 63.1 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.84 139.58 55.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.62 -51.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -107.44 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -115.83 156.05 26.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 30.7 m95 -143.13 174.47 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.07 -179.09 44.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 66' ' ' LEU . 7.0 mt -101.22 156.05 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' HB2' ' A' ' 93' ' ' PHE . 48.2 t -140.11 113.98 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.8 pt-20 -78.18 122.05 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.69 142.67 31.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.72 93.82 30.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.4 3.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.695 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.4 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -5.34 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.88 52.32 9.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.62 158.97 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -144.96 111.16 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -115.99 146.28 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 93' ' ' PHE . . . -109.15 88.89 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.5 pt? -57.12 155.33 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -167.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -49.07 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -59.87 -20.77 59.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.84 134.97 57.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -86.59 123.94 32.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' GLN . 2.3 m -58.78 -36.82 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.75 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.1 -36.76 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 71' ' ' SER . 62.9 t -80.77 -35.65 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -67.93 -38.47 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.79 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.21 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 85' ' ' SER . 53.1 m0 -46.57 145.9 2.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.99 163.88 34.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.18 -54.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.51 70.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.06 124.41 6.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.49 56.21 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB3' ' CE3' ' A' ' 79' ' ' TRP . 29.8 t -55.48 155.88 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -151.98 173.75 14.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -108.55 137.23 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.3 t80 -91.48 114.6 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.4 ptm85 -147.28 137.89 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 ptpt -85.72 -27.49 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -116.94 83.71 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CE2' ' HA3' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -107.85 137.93 45.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 46.29 77.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.14 163.55 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.76 -139.35 9.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.35 9.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m 44.68 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -58.39 159.37 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -89.13 -57.37 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.86 162.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 75.87 2.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -167.77 119.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m 41.21 91.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.92 -86.66 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.85 156.93 0.24 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -97.27 112.47 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -90.59 91.92 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 49.7 t -76.11 127.19 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -102.65 98.61 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 39' ' ' LEU . 16.5 t -90.82 123.9 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 95.1 m-85 -99.03 139.73 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 p -98.21 145.47 26.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -42.83 -48.07 5.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 -46.64 60.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.13 -28.45 2.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.12 122.08 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.38 141.5 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -140.23 147.03 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 10.8 p -126.29 149.41 49.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 12.6 m -134.93 141.99 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.63 109.79 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 30.4 m -133.93 163.34 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -131.67 158.98 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.92 -52.37 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.43 147.14 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -112.93 178.13 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 66' ' ' LEU . . . -57.13 -26.1 59.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -74.57 -44.63 50.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -48.98 -52.13 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 39' ' ' LEU . 51.2 t -59.23 -51.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 41.4 t -48.42 -51.24 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.29 -52.95 63.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.23 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 mtp -53.86 -57.45 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 35' ' ' VAL . 39.0 mt -53.38 -59.57 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' CYS . 38.7 t -40.03 -59.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 16.6 mt-30 -165.38 169.12 16.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.67 52.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.93 -59.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.44 -65.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 56.96 -172.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp 61.71 62.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -176.37 175.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 52.7 175.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.4 tp10 -42.42 149.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 17.7 m -66.86 -37.12 83.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.76 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 21.4 m95 65.6 -178.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . . . -175.18 -167.07 33.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.2 mt -117.92 150.8 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HD3' ' A' ' 90' ' ' ARG . 60.1 t -142.83 113.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 6.0 pt-20 -74.16 121.74 21.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.09 141.81 34.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 39.8 m-70 -113.28 93.98 28.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 57' ' ' HIS . 3.4 p-80 -166.21 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 109.636 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.16 -1.59 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.28 46.63 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 160.26 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.72 107.26 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 21.9 ttm180 -117.01 139.63 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.03 138.13 14.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -113.24 152.76 29.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.6 mt-10 -75.56 -174.97 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -73.36 -54.01 9.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.64 -34.68 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 70' ' ' GLU . 5.4 mm-40 -55.59 125.93 23.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -83.77 131.16 34.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG13 ' HA ' ' A' ' 32' ' ' ALA . 2.4 m -63.05 -38.35 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.12 -57.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 71' ' ' SER . 93.1 t -81.38 -31.61 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.99 -35.01 66.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.04 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.6 m0 -47.82 140.87 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.97 -55.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.68 60.03 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.41 113.85 0.45 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.74 55.95 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 13.0 m -64.4 138.16 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 7.7 ptt180 -129.48 -175.63 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -117.79 111.88 19.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.21 134.63 39.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 9.7 t80 -97.1 121.06 38.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HD3' HG11 ' A' ' 54' ' ' VAL . 8.7 ptm180 -149.11 146.09 27.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -100.64 175.83 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' LYS . 17.7 m-20 38.76 30.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 1.6 p90 -78.3 163.3 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 72.86 -77.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.24 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.7 150.9 10.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 t -153.75 116.37 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.91 130.67 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 58.58 92.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.944 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -153.12 144.99 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.78 -102.03 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -55.09 38.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.9 92.76 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.06 -101.96 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -58.25 150.57 52.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.77 107.96 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t -88.49 93.68 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.22 126.87 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -102.46 98.78 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 t -88.06 111.23 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 97.2 m-85 -83.25 138.43 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -101.21 158.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.94 44.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.22 50.01 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -116.22 54.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -57.56 143.12 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -146.81 116.01 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -80.7 154.48 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 3.7 m -142.55 142.29 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.74 106.38 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 170.66 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.0 154.66 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.59 97.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.95 -53.0 0.38 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.53 156.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 p -123.64 179.94 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -58.65 -19.12 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.1 tpt180 -79.35 -49.08 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.77 -54.86 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.22 -55.89 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 32.3 t -45.92 -55.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 108.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.78 -52.02 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 19.0 mtp -56.28 -60.2 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -52.81 -52.57 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' CYS . 11.1 t -41.31 -49.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 8.8 pt20 -173.22 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 168.35 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.15 19.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 53.74 101.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.91 174.43 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 47' ' ' SER . 2.2 tm? -86.0 140.38 30.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.666 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -66.86 77.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -175.42 146.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.8 105.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.3 p -85.97 149.08 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.669 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 26.7 m95 -138.84 170.97 15.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.54 -176.65 46.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.4 mt -106.24 151.5 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 90' ' ' ARG . 54.5 t -138.15 116.89 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -76.36 116.11 16.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 144.28 27.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 38.1 m-70 -112.7 94.79 30.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.27 4.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.5 p-80 -167.18 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.89 -1.87 28.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.29 49.42 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.73 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.12 161.5 19.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.73 ' H ' HD13 ' A' ' 62' ' ' LEU . 3.4 mp0 -145.14 106.16 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -112.86 139.84 48.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -104.19 141.52 15.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 152.48 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -176.7 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -73.75 -55.48 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.94 128.19 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -87.0 122.7 31.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 1.7 m -56.27 -38.69 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.22 -62.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.58 -39.17 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' SER . 97.6 t -78.32 -30.61 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.5 tt0 -73.75 -34.67 64.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.92 62.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 45.0 m0 -44.84 142.06 2.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.4 p -84.08 119.53 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.01 -46.56 1.07 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.128 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.22 111.61 3.37 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -76.17 57.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 34.8 m -58.96 142.94 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 8.5 ptt180 -132.27 172.28 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 53' ' ' LEU . 34.1 m-85 -108.59 113.69 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.0 t -100.0 130.61 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.669 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -91.47 118.88 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.7 ptm180 -146.94 146.17 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -98.93 -21.48 16.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -122.8 95.29 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -146.78 -52.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -169.46 -50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -84.53 80.08 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.1 -89.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.81 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 t 60.14 117.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.74 91.51 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.12 164.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 m 62.82 124.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.17 -92.17 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.86 109.37 1.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -137.04 154.81 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.9 -112.39 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.44 152.63 55.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.55 24.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -104.07 107.14 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.4 t -85.06 92.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.7 t -70.78 133.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -107.56 98.66 8.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 35' ' ' VAL . 4.6 t -97.3 117.63 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 72.4 m-85 -94.17 146.46 23.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -108.39 146.19 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.57 -51.65 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -45.26 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.22 -29.56 2.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.44 103.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.47 121.42 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 108.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -107.86 161.83 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -132.01 146.59 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.33 140.0 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.83 116.29 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' VAL . 27.8 m -139.91 161.19 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.53 152.42 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 97.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.62 -47.31 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.15 151.47 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 p -118.86 -175.83 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -66.92 -10.48 49.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -37.38 19.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -62.77 -56.09 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 14' ' ' VAL . 47.8 t -51.57 -60.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.922 ' O ' HG13 ' A' ' 40' ' ' VAL . 47.1 t -43.33 -49.24 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 40' ' ' VAL . 3.0 mm-40 -63.57 -36.9 85.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.8 mtp -73.48 -25.19 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 35' ' ' VAL . 44.4 mt -89.9 -56.18 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 36' ' ' CYS . 33.4 m -38.08 -52.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.845 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 7.9 mt-30 -44.24 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 41' ' ' GLN . 3.6 tmm_? 84.83 -47.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.8 -55.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.58 85.8 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . . . -44.61 133.05 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.34 61.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -131.89 173.55 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.14 21.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -117.16 130.5 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 86.9 m -75.5 156.86 34.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . 25.8 m95 -148.11 172.67 13.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.58 -172.96 23.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.2 mt -113.75 149.81 34.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 88' ' ' VAL . 52.3 t -139.01 118.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.71 130.74 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.548 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -109.92 143.5 39.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -114.06 92.65 27.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.58 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.73 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.6 p-80 -166.23 -42.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.93 -3.67 27.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.83 51.69 13.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.55 162.93 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.85 107.68 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -118.33 141.4 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.32 130.13 10.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -103.33 160.3 14.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.96 -177.82 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -49.79 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -60.42 -26.23 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -50.96 131.27 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -77.16 108.53 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -42.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.0 t -64.27 -64.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -48.02 -24.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 71' ' ' SER . 59.0 t -88.1 -43.15 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.7 pt20 -75.84 -7.52 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -86.75 -33.98 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.33 73.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -44.76 140.79 3.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 172.99 15.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.44 137.93 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.57 -44.44 2.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -39.7 -39.66 1.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 59.6 40.77 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 20.3 m -60.15 153.27 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.44 -175.81 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.1 m-85 -115.94 141.03 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG21 ' SG ' ' A' ' 56' ' ' CYS . 89.2 t -123.62 130.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 51' ' ' TRP . 7.9 t80 -91.4 117.5 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' NE ' ' HB2' ' A' ' 93' ' ' PHE . 8.2 ptm180 -151.81 145.13 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -93.81 -38.75 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -113.76 98.55 7.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -123.27 165.0 17.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.58 141.28 20.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.56 96.69 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.68 157.0 27.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.12 159.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 t -117.43 91.97 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.31 116.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -137.86 83.75 2.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.95 163.67 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.1 83.69 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.53 112.68 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.05 -95.18 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.16 157.19 76.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.24 7.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -111.83 107.58 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.97 91.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 24' ' ' VAL . 38.5 t -77.49 127.96 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -98.77 98.53 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.4 t -97.22 130.26 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 91.5 m-85 -102.75 140.47 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 p -91.65 146.8 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 3.1 mt-10 -44.84 -39.67 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.16 -45.75 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.36 -25.2 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 113.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.86 124.39 32.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.41 164.54 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 159.57 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -147.39 140.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -95.43 104.88 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 m -128.97 166.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -124.91 153.03 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 98.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 157.55 -51.12 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.41 139.91 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.91 179.05 4.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -58.61 -16.69 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tpt180 -81.6 -35.66 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -63.76 -46.92 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 14' ' ' VAL . 78.9 t -59.17 -46.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.17 -53.35 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.47 -55.37 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -61.17 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 14' ' ' VAL . 72.4 mt -45.51 -55.62 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.42 -53.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.65 -74.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.77 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.63 60.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.66 173.19 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 65.85 128.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -179.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -44.44 107.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.44 -45.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 6.5 pt-20 -137.11 110.69 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 t -84.71 -45.52 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 12.0 m95 55.08 175.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.67 -175.97 34.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.3 mt -112.03 151.41 29.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.61 HG11 HH11 ' A' ' 90' ' ' ARG . 90.2 t -131.25 124.57 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -89.49 113.13 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.24 144.8 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -114.92 90.85 24.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.08 3.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.768 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.5 p-80 -166.08 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -100.63 -3.07 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.12 46.42 19.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.07 157.19 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.55 106.77 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -117.51 150.38 39.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.77 136.37 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.67 157.12 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.1 mt-10 -73.95 -171.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.28 -52.97 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -50.75 -24.4 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.96 132.3 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -82.92 115.09 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLN . 1.3 m -53.04 -39.25 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.62 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.78 -38.76 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 71' ' ' SER . 87.0 t -77.84 -32.72 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.97 -33.37 65.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.248 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.8 -33.16 58.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.6 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 43.6 m0 -58.61 147.9 68.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.75 36.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.8 p -62.5 -47.07 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -87.83 40.23 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ASP . . . -151.87 73.92 0.26 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLY . 0.5 OUTLIER -39.44 -57.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 19.4 m 58.44 155.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -145.31 172.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 7.2 m-85 -113.31 120.37 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 86' ' ' ARG . 2.5 t -101.62 153.48 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.3 t80 -112.17 113.25 25.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.61 HH11 HG11 ' A' ' 54' ' ' VAL . 1.3 mtp180 -135.33 153.29 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -108.9 -26.25 10.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -150.78 74.06 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' ARG . 47.7 p90 -105.31 128.5 53.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.27 176.53 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 m -100.99 -55.25 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.2 172.74 27.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 141.7 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -157.13 128.28 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.9 115.41 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -77.85 159.21 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.29 177.46 47.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.64 138.0 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -124.09 91.25 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.81 -131.89 10.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -115.43 160.12 35.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.32 10.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -115.34 107.25 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.59 91.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 14' ' ' VAL . 94.3 t -75.28 140.91 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -117.78 99.34 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.747 HG22 ' CB ' ' A' ' 87' ' ' PHE . 76.0 t -105.22 133.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 55.1 m-85 -100.51 141.66 33.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' GLY . 65.7 p -88.86 139.48 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CG ' ' NE ' ' A' ' 90' ' ' ARG . 5.2 mt-10 -44.09 -39.0 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.82 -42.48 90.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 139.77 -27.72 2.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -63.13 102.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.45 162.21 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 108.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.678 ' NE ' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -149.37 174.03 12.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 30.2 m -134.56 144.06 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.55 146.59 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.39 106.86 19.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 29.3 m -128.37 156.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.64 176.87 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 85.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.15 -52.52 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.25 136.93 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -105.23 -173.69 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.54 -19.04 55.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -82.24 -48.1 11.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -45.76 -48.59 15.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' MET . 79.2 t -64.42 -58.32 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 t -42.78 -30.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.315 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' VAL . 3.2 mm-40 -81.67 -44.24 17.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.594 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 27.4 mtp -59.39 -50.95 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' NE ' ' A' ' 22' ' ' ARG . 14.2 mt -57.31 -58.62 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.833 HG12 ' HG2' ' A' ' 41' ' ' GLN . 5.2 t -39.85 -41.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.833 ' HG2' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER 175.43 -48.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -179.38 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.15 174.16 11.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.07 146.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.43 161.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.22 -63.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.07 138.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -169.56 -55.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -171.21 131.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.1 p -77.01 141.72 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.64 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 19.5 m95 -136.6 158.34 44.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.18 -159.85 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.1 mt -121.57 152.52 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 23.7 t -140.59 113.35 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -78.75 117.92 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.56 145.12 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -112.8 94.5 29.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.656 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.2 p-80 -167.08 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.652 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.01 -2.22 30.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.74 47.99 21.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.755 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -114.78 161.81 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.755 ' H ' HD13 ' A' ' 62' ' ' LEU . 12.4 mp0 -144.93 109.82 5.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -120.41 144.3 48.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.34 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -112.6 137.63 14.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -111.82 153.79 26.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -77.55 -176.17 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -70.35 -55.01 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -45.6 -41.1 9.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -49.55 126.44 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -86.08 119.66 26.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -51.31 -40.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.95 -63.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.71 -36.87 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 71' ' ' SER . 59.8 t -80.07 -34.34 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -71.06 -32.17 68.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.66 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.66 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 37.6 m0 -45.42 142.65 3.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.9 30.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.0 125.0 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.25 -69.5 0.53 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.19 126.35 36.0 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -76.72 57.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 22.6 m -51.05 142.56 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.41 165.38 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.747 ' CB ' HG22 ' A' ' 14' ' ' VAL . 17.7 m-85 -101.17 164.44 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.469 HG11 ' HE ' ' A' ' 90' ' ' ARG . 24.5 t -143.15 143.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.64 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.0 t80 -102.78 113.92 27.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HE ' HG11 ' A' ' 88' ' ' VAL . 78.9 mtt180 -134.29 164.91 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 1.2 ptpp? -110.72 -41.38 4.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -140.4 66.24 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . 34.9 p90 -78.7 135.61 37.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 42.53 88.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.18 165.26 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.11 -145.47 30.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -179.83 99.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t 60.35 163.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.04 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -166.52 -57.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 54.11 99.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.2 163.04 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.1 111.04 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.733 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.65 -155.44 19.59 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.71 134.48 23.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -104.68 108.06 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.7 97.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.63 124.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.58 114.79 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 35' ' ' VAL . 38.1 t -113.01 105.62 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' CYS . 73.2 m-85 -84.32 159.55 20.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -116.6 153.51 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.964 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.57 -48.91 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -50.0 -45.66 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.68 -34.68 2.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.17 133.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . 30.3 p -94.23 130.95 40.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -134.23 112.2 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -104.82 156.96 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.503 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.6 m -133.34 145.43 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.27 114.42 21.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -138.54 169.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -134.61 160.08 39.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.6 -50.0 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.62 146.37 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 p -115.76 179.17 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.39 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.402 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.97 -42.55 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -55.02 -59.6 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 14' ' ' VAL . 59.5 t -44.27 -61.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' O ' HG22 ' A' ' 40' ' ' VAL . 42.7 t -43.12 -62.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.4 mm-40 -51.69 -39.58 58.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.503 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 79.3 mtp -68.87 -33.73 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' VAL . 85.6 mt -80.02 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 41' ' ' GLN . 33.6 m -40.11 -54.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' N ' HG23 ' A' ' 40' ' ' VAL . 1.8 mt-30 -159.12 -93.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.43 -68.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.92 66.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.77 111.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.1 146.72 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -104.02 150.19 24.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.06 72.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -127.41 -45.01 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.59 123.18 28.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 25.4 p -83.4 145.49 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 91' ' ' LYS . 29.9 m95 -145.64 168.06 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.39 6.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 53' ' ' LEU . 5.9 mt -130.61 149.89 52.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 88' ' ' VAL . 59.0 t -137.69 114.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.5 pt-20 -73.92 134.5 43.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -115.33 143.37 45.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -113.94 93.13 28.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 55.04 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.771 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.714 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.3 p-80 -165.7 -42.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -3.48 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.75 50.74 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.29 160.91 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.24 109.38 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.2 ttp180 -117.99 142.59 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.1 133.91 11.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD21 ' HE1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -110.81 155.27 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -62.92 -172.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.61 -51.46 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -57.5 -22.53 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 136.79 34.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 74' ' ' GLU . 1.5 m -86.41 107.5 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -46.29 -40.7 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 78.2 t -64.9 -61.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' A' ' 71' ' ' SER . 3.1 mt-10 -48.01 -38.49 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -78.68 -33.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -71.45 -29.98 65.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.9 -29.03 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.42 96.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -42.69 147.17 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.19 35.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 81' ' ' VAL . 94.3 t -94.53 69.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.0 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -91.35 132.3 11.21 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.96 58.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 58.8 m -52.78 153.13 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.14 167.89 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.425 ' HE1' HD21 ' A' ' 66' ' ' LEU . 22.1 m-85 -104.69 147.11 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' VAL . 90.0 t -129.07 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.4 t80 -104.06 117.62 34.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -149.33 153.77 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -109.33 152.72 24.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t30 41.96 49.96 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 93' ' ' PHE . 1.1 p90 -74.24 130.95 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -175.81 83.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 t 51.04 82.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.36 146.97 43.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 t -98.6 164.99 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -151.49 132.12 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.06 143.52 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -156.19 -58.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 -84.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t 59.85 107.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.17 -57.44 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.33 179.04 17.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -55.73 162.42 2.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -101.39 113.41 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.04 98.56 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.73 132.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -105.25 102.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -97.37 128.56 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 68.8 m-85 -100.69 147.64 25.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.44 148.51 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.94 -52.31 7.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -45.98 -41.75 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.93 -26.76 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 142.05 16.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.25 134.37 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.269 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -132.91 146.49 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 150.7 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 132.12 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 108.01 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.3 175.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -138.89 155.67 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.85 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 156.1 -47.61 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.07 137.96 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 p -103.41 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.29 -24.79 65.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.67 HH21 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -78.44 -44.14 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 38' ' ' MET . 14.2 m80 -47.92 -50.53 26.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.7 t -57.78 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.906 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.0 t -43.62 -50.69 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -63.93 -43.05 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 1.4 mmm -66.73 -19.64 65.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.4 mt -91.86 -57.84 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 36' ' ' CYS . 10.1 m -50.24 -45.05 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 64.27 90.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.6 157.87 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.58 -62.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -95.37 84.13 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.75 72.38 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.67 HD11 HH21 ' A' ' 33' ' ' ARG . 0.2 OUTLIER -148.1 61.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.7 p 179.58 61.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.06 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.44 -42.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.69 153.0 42.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.0 p -117.64 -47.88 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 50.1 m95 62.04 176.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.91 -148.22 7.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 87' ' ' PHE . 6.4 mt -132.68 150.38 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.7 t -136.87 113.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 pt-20 -74.19 124.55 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.92 143.4 33.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.47 93.87 29.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.4 p-80 -167.15 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.32 -3.07 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.03 47.16 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.21 162.35 16.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -144.1 108.82 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 32.9 ttm-85 -116.44 142.24 47.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.19 135.18 12.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.94 150.73 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.0 mm-40 -74.49 -176.83 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -73.41 -55.91 5.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -44.8 -34.87 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.24 124.27 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -80.52 116.59 20.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -49.97 -42.16 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' ALA . 61.7 t -65.33 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.94 -38.1 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 71' ' ' SER . 99.3 t -78.68 -32.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -73.38 -31.64 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.52 -32.51 60.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.22 77.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.7 m0 -47.22 148.78 1.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.81 30.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.4 t -96.92 66.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.68 -47.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.518 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -94.87 129.38 9.88 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.66 59.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 45.1 m -55.76 143.57 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.051 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -141.99 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 53' ' ' LEU . 39.6 m-85 -105.18 149.98 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' VAL . 98.5 t -131.02 143.81 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 11.5 t80 -104.61 118.7 37.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.0 ptm180 -154.81 152.23 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -104.91 -15.96 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -124.81 112.78 17.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.5 t80 179.99 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.8 -48.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m 62.23 122.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.39 -121.3 0.59 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 65.4 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.52 168.18 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.4 t -73.96 114.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.24 91.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 152.86 30.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.91 -149.26 18.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.75 97.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.982 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.02 112.83 24.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.63 167.12 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.81 155.64 51.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.34 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.45 107.18 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.3 t -88.28 95.3 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -82.4 127.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.93 107.5 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 35' ' ' VAL . 25.4 t -104.12 133.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 77.7 m-85 -112.58 138.08 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -90.11 140.55 29.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.31 -42.46 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -41.43 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 138.26 -27.56 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.32 124.18 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.51 147.03 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' NH2' ' OG ' ' A' ' 16' ' ' SER . 1.5 ptt180 -163.12 144.85 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -119.84 153.57 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.67 144.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.13 105.85 16.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.64 164.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.91 174.63 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.98 82.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.59 -51.04 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 144.26 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 p -107.97 -178.39 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -57.08 -33.09 66.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.3 tpt180 -68.82 -46.45 68.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -45.43 -60.01 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 14' ' ' VAL . 36.8 t -45.1 -63.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 40' ' ' VAL . 18.2 t -41.53 -67.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.623 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 4.5 mm-40 -47.24 -45.5 23.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -18.49 65.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 14' ' ' VAL . 98.5 mt -93.57 -59.29 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 36' ' ' CYS . 2.8 m -47.27 -37.33 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.52 122.52 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.72 -55.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.09 95.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 11.9 m170 61.87 159.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.642 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 44' ' ' HIS . . . 177.69 109.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -147.7 121.91 9.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m 45.65 94.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -146.9 173.72 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.55 157.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 27.6 p -76.29 165.55 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.626 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 58.5 m95 -158.67 160.71 36.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 107.983 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.89 -168.94 28.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.1 mt -113.93 151.08 32.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.64 115.55 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -81.34 121.44 26.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.35 145.33 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.349 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.9 m-70 -113.14 94.05 28.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.411 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 56.9 4.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.692 ' CD2' HD21 ' A' ' 60' ' ' LEU . 6.7 p-80 -167.75 -41.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.42 -2.2 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.28 47.97 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -115.82 161.95 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.723 ' H ' HD13 ' A' ' 62' ' ' LEU . 8.8 mp0 -145.28 108.56 4.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 15.6 tpp180 -117.7 150.84 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -115.99 136.04 12.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -109.86 155.15 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 34.1 mt-10 -79.94 -178.73 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -68.07 -54.97 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -43.65 -46.55 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -43.52 130.98 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.65 113.23 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -46.64 -41.92 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' ALA . 56.5 t -65.13 -59.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.48 -39.0 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -78.52 -29.68 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -75.05 -31.5 61.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.65 -37.28 62.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.15 79.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 47.4 m0 -46.23 143.09 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.74 34.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.69 121.26 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.42 -34.9 5.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.76 -33.68 4.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 59.26 30.36 20.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.4 m -57.43 155.07 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -139.12 -179.01 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 53' ' ' LEU . 6.5 m-85 -118.0 124.31 47.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 86' ' ' ARG . 10.8 t -104.21 151.21 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.1 t80 -111.53 114.46 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HE ' HG11 ' A' ' 88' ' ' VAL . 81.5 mtt180 -135.01 151.96 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 51' ' ' TRP . 3.6 ptpt -107.07 -23.95 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -134.37 62.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -96.59 131.85 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 63.01 130.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.3 m 61.3 143.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.6 -144.61 9.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.58 29.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 t 63.68 102.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -59.18 2.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -170.14 -55.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -141.97 110.76 6.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 -134.67 12.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.5 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -99.89 163.14 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.14 -165.65 15.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -122.76 156.41 61.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 91.4 m-70 -106.39 109.86 21.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -92.18 92.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.39 133.8 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -105.9 104.28 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.2 t -98.15 133.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 61.7 m-85 -109.25 143.04 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.75 147.0 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -39.64 -59.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -40.47 -45.0 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.27 -30.0 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.16 126.11 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.28 130.51 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 39' ' ' LEU . 15.7 ptp180 -133.99 147.5 51.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 p -121.23 142.67 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 14.1 m -124.49 146.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.43 117.04 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 10' ' ' HIS . 33.8 m -136.75 165.52 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -127.85 176.89 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.7 78.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.26 -49.29 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.1 146.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -112.95 177.25 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -56.07 -34.61 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -66.34 -46.34 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -45.99 -59.43 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 53' ' ' LEU . 41.1 t -50.07 -60.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.898 ' O ' HG22 ' A' ' 40' ' ' VAL . 40.6 t -41.93 -51.1 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 mm-40 -62.75 -42.44 99.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.557 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 88.1 mtp -66.91 -22.47 65.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 22' ' ' ARG . 74.9 mt -88.79 -57.58 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 36' ' ' CYS . 11.8 m -50.78 -45.0 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 64.94 111.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER 170.86 -40.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 69.83 -65.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -42.73 -63.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 40.25 70.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD13 ' C ' ' A' ' 46' ' ' LEU . 2.4 tm? -60.95 -60.55 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.23 -76.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.88 -171.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -108.36 179.42 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -81.31 138.93 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 52.8 m95 -146.62 167.8 22.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.58 173.99 46.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.6 mt -97.31 148.31 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG21 ' HD3' ' A' ' 90' ' ' ARG . 79.6 t -136.76 113.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.59 134.31 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.57 143.78 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.7 m-70 -113.9 93.42 29.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.721 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -166.58 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.39 -3.14 29.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.23 49.15 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.88 158.53 24.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.96 109.9 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.8 tpp180 -116.42 138.79 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -101.02 145.0 16.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.64 151.51 44.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 15.1 mt-10 -77.0 -176.14 3.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -70.9 -54.95 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 35.8 p-80 -44.52 -43.04 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -43.58 134.36 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.11 110.83 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -45.61 -40.37 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.76 -63.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -48.11 -39.93 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -30.89 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tt0 -73.59 -34.25 64.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.32 -33.47 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.35 84.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.9 m0 -42.85 139.66 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.0 p -93.34 120.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.7 -63.33 0.63 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.9 113.54 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.96 60.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 75.0 m -57.96 153.55 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.7 177.09 10.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.524 ' HB3' HD22 ' A' ' 53' ' ' LEU . 26.8 m-85 -114.13 120.51 40.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 86' ' ' ARG . 42.7 t -100.82 132.71 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.37 117.1 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.498 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.5 ptm180 -146.94 152.88 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 4.8 ptpt -102.83 -27.89 12.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -121.94 87.91 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -110.57 124.88 52.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -177.95 57.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t 70.19 170.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.83 77.34 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 93.9 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.11 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 -57.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -160.74 114.85 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -63.87 -58.37 6.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 -66.3 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.13 145.0 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.47 160.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.48 -164.32 5.07 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -139.84 168.28 15.54 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.457 0.74 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.54 18.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -116.76 114.54 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.9 m -88.06 42.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.1 t -32.94 126.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.79 115.36 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 35' ' ' VAL . 37.6 t -110.97 88.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -59.17 145.55 42.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.3 m -113.26 146.39 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -42.24 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -43.13 78.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 105.58 18.67 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.14 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t 63.24 133.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -151.8 148.86 28.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 11' ' ' VAL . 48.8 m -122.23 146.5 47.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.953 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -128.66 131.38 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.8 105.96 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -124.57 163.48 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.82 155.95 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 99.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.99 -49.44 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 128.16 32.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -95.39 -178.76 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -58.97 -16.76 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 4.4 tpt180 -84.94 -45.5 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -48.28 -46.77 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 55.3 t -58.79 -49.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 t -50.64 -47.74 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.45 -58.75 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.8 mmm -48.17 -59.28 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 35' ' ' VAL . 46.4 mt -51.7 -57.67 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 36' ' ' CYS . 48.2 t -49.24 -57.45 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.701 ' CD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER 172.67 167.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.83 -51.67 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.23 -175.39 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 70.35 -65.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -41.54 143.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.31 -179.69 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.81 157.95 18.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 178.95 122.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.21 165.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.59 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 29.8 m -98.52 159.21 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 50' ' ' THR . 57.9 m95 -154.04 170.96 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.87 -136.05 2.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.7 mt -141.18 157.78 44.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.64 113.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 4.6 pt-20 -76.66 120.26 21.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.58 142.82 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' ND1' ' OG ' ' A' ' 85' ' ' SER . 35.2 m-70 -112.77 94.92 31.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.567 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.453 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -75.04 57.94 4.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 60' ' ' LEU . 1.6 p80 -171.13 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -104.61 -1.66 26.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.69 51.38 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.11 161.75 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.741 ' H ' HD13 ' A' ' 62' ' ' LEU . 4.2 mp0 -145.75 108.26 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 5.4 tpm_? -115.41 140.92 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -103.27 92.91 0.96 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 2.0 pt? -61.92 142.84 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 mt-10 -67.17 -172.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -78.53 -53.11 7.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -52.02 -23.93 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.57 128.79 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -86.41 122.13 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.5 m -57.38 -38.39 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.09 -64.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -46.81 -36.76 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 71' ' ' SER . 79.3 t -80.5 -36.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -68.53 -34.97 76.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.1 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.19 66.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 48.4 m0 -58.69 144.05 80.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.04 32.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.68 -68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.55 58.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.33 -55.7 6.61 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 60.52 32.25 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 33.4 m -59.82 163.12 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 175.84 10.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 53' ' ' LEU . 31.7 m-85 -111.92 142.92 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.92 141.51 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 6.7 t80 -97.9 118.55 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' NE ' ' HB2' ' A' ' 93' ' ' PHE . 5.8 ptm180 -157.22 147.19 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.33 -27.74 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.63 109.31 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -142.29 145.83 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 93' ' ' PHE . . . 175.15 64.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.49 81.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 40.65 88.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.2 m -166.01 144.74 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.09 144.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -117.1 -59.15 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 166.97 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.37 -110.84 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.93 52.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.34 113.61 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.7 -145.94 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.35 157.82 5.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m-70 -113.96 107.1 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.7 t -89.14 91.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' HB ' HG23 ' A' ' 24' ' ' VAL . 44.3 t -73.72 128.85 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -98.06 100.86 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG21 HG11 ' A' ' 35' ' ' VAL . 25.0 t -95.8 127.35 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 98.5 m-85 -102.49 143.47 32.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 9.6 t -93.45 138.46 31.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.87 -27.22 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -69.65 -34.41 73.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.7 -16.69 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -56.5 161.78 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -136.46 110.77 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.27 157.4 21.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.8 m -128.78 163.48 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 39' ' ' LEU . 2.3 m -147.78 136.59 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.7 104.03 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -133.84 175.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.06 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' NE2' ' A' ' 10' ' ' HIS . . . -79.98 76.16 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.37 144.52 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 67.1 p -106.2 -178.0 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -53.21 -58.88 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.0 tmm_? -45.46 -57.39 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -38.99 -41.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG11 HG21 ' A' ' 14' ' ' VAL . 55.8 t -71.85 -47.89 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 t -51.51 -45.59 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -61.32 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.84 -51.49 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 24' ' ' VAL . 79.0 mt -57.38 -39.09 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.65 -43.42 73.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 60.61 163.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.93 81.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.05 160.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 63.43 97.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' SER . . . -90.32 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mp 67.11 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -114.57 116.14 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -179.63 172.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 tt0 -81.42 162.63 23.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -65.7 -48.59 71.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 49' ' ' GLU . 61.2 m95 62.39 168.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.03 -179.65 48.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.9 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.8 mt -102.28 157.35 16.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 88' ' ' VAL . 22.9 t -139.43 113.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 1.9 pt-20 -73.79 104.37 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.02 142.99 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.85 94.4 33.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.5 Cg_endo -74.98 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.717 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.82 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.38 -4.16 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.41 53.01 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.59 160.79 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -145.24 111.33 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.7 tpp180 -120.05 143.54 48.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -109.6 137.22 14.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -109.05 169.57 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.03 -170.62 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.9 p-10 -79.68 -20.39 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -83.82 1.5 42.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 31' ' ' THR . 5.9 mm-40 -99.73 118.28 35.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 112.44 14.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -49.01 -42.51 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 28' ' ' ALA . 12.6 t -62.41 -59.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.85 -40.3 55.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.9 t -76.07 -28.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -77.83 -30.07 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.89 -29.53 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.67 -24.58 59.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 24.4 m0 -48.53 148.49 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.14 31.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.28 139.42 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.75 -57.81 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.14 117.19 8.27 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 21.7 m-20 -81.05 54.46 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 7.6 m -54.55 136.65 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 9.5 ptt180 -126.9 176.15 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CE1' HG12 ' A' ' 72' ' ' VAL . 17.1 m-85 -108.22 111.47 23.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' VAL . 6.7 t -99.98 131.26 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.8 t80 -91.76 115.01 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 88' ' ' VAL . 42.7 mtp180 -133.06 148.27 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 2.6 ptpt -101.01 -23.8 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -149.48 76.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.407 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 24.8 p90 -98.77 144.54 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 58.21 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.9 t -109.99 118.79 37.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.71 -145.16 1.41 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 67.08 6.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 t -144.76 89.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 169.43 7.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.47 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 48.46 94.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.35 -145.59 4.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.67 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.47 75.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 -59.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.31 149.18 72.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.15 11.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.02 109.51 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -88.75 92.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.56 128.28 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -101.43 128.55 47.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 39' ' ' LEU . 24.4 t -125.04 134.15 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 87.7 m-85 -111.81 141.66 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -99.71 151.87 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -46.64 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.46 -43.54 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.88 -31.49 2.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.71 137.86 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.0 p -105.17 146.18 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.235 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -144.97 141.24 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -126.95 155.33 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' HB ' ' HE3' ' A' ' 38' ' ' MET . 4.2 m -138.1 137.86 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.55 106.13 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.25 164.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -101.62 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -171.41 -39.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 143.73 22.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 68.0 p -108.9 -172.9 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -55.95 -59.57 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tmm_? -45.81 -55.99 5.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -41.03 -41.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 32' ' ' ALA . 46.0 t -72.22 -43.2 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.2 t -56.29 -48.47 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.89 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE3' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -50.11 -56.06 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.6 mt -52.76 -39.97 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.12 -43.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 62.54 87.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.55 132.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.57 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.668 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 68.5 m-70 42.1 -101.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.55 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 44' ' ' HIS . . . 82.15 100.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.35 65.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.55 77.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 175.27 161.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -52.08 165.07 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -86.38 153.35 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 25.4 m95 -140.77 155.73 46.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.53 -152.52 6.9 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.917 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.1 mt -125.72 147.69 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 ' HD3' ' A' ' 90' ' ' ARG . 70.2 t -136.66 113.75 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.63 130.03 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -108.28 144.4 35.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.66 93.59 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.4 Cg_endo -74.98 55.88 4.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.745 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.9 p-80 -167.02 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.69 -3.36 26.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.31 51.12 14.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.45 163.57 16.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -145.04 108.64 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -116.46 141.9 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.0 154.02 17.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -129.84 161.41 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -90.51 -170.91 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.6 p30 -79.59 -23.79 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 47.4 p-80 -79.15 -9.97 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.548 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 8.3 mm-40 -84.72 120.29 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.01 119.02 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -53.7 -41.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.4 t -64.15 -54.05 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.1 -42.58 73.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.41 -28.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -75.97 -33.34 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.0 -25.51 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -36.85 76.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -46.43 143.1 4.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.19 31.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.6 t -93.5 66.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.23 -45.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.33 136.74 13.16 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -81.17 54.01 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.2 m -51.22 145.42 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -147.0 169.5 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' HD22 ' A' ' 53' ' ' LEU . 30.0 m-85 -103.07 123.55 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.661 HG21 ' SG ' ' A' ' 56' ' ' CYS . 55.0 t -101.5 150.7 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 3.3 t80 -110.84 114.74 28.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.2 ptm180 -145.19 159.16 43.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -109.12 -22.94 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -121.7 109.54 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 1.4 t80 -168.84 -40.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . . . -177.76 106.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.73 114.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -43.28 104.72 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.88 5.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -49.37 154.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.2 t -157.54 -58.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.21 -58.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -122.1 -58.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.74 149.35 3.77 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -75.49 -59.85 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.4 84.05 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.92 -108.32 0.84 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 157.97 33.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.12 23.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.75 109.81 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -88.19 93.89 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.8 t -75.08 129.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -103.99 101.84 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.95 126.41 48.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 96.2 m-85 -99.06 142.75 30.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLY . 13.8 p -102.99 148.28 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.46 -49.57 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -43.36 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.49 -24.88 3.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.82 114.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.17 123.82 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.96 148.91 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -124.77 151.53 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 39' ' ' LEU . 6.8 m -139.63 136.83 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.79 119.71 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' CG2' HG23 ' A' ' 12' ' ' VAL . 34.8 m -145.97 174.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.62 175.69 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 66.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.01 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.33 157.63 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.777 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 p -120.61 -177.02 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -67.4 -9.96 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.6 tpt180 -86.41 -41.87 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -55.6 -59.67 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LEU . 52.9 t -50.08 -62.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.804 ' O ' HG22 ' A' ' 40' ' ' VAL . 50.0 t -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.597 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -59.69 -44.22 93.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 83.9 mtp -61.61 -30.75 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 73.2 mt -82.14 -64.84 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 36' ' ' CYS . 18.7 m -42.79 -46.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.5 98.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -136.15 -48.41 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.71 -59.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 157.92 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -155.07 128.54 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.3 81.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.24 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 175.24 134.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mt-10 59.89 91.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 51' ' ' TRP . 3.0 t -70.2 -48.27 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 9.9 m95 62.52 173.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.34 -169.81 29.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 87' ' ' PHE . 7.6 mt -109.86 153.58 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.0 t -141.18 114.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.9 pt-20 -72.75 117.83 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.64 143.19 31.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.5 m-70 -112.96 94.93 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 56.77 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.671 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.0 p-80 -167.87 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.87 -1.26 29.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.15 47.19 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -112.7 162.06 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.747 ' H ' HD13 ' A' ' 62' ' ' LEU . 11.5 mp0 -145.79 107.6 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.6 ttp85 -116.73 138.01 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.492 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -103.94 131.95 10.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.39 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.5 mt-10 -69.49 -173.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.83 -53.08 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -49.25 -32.57 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.49 127.04 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -77.76 107.08 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.055 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -44.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.6 t -62.06 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -46.92 -25.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 71' ' ' SER . 96.8 t -86.75 -41.77 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.02 -5.53 51.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -97.49 -23.94 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -27.53 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 38.7 m0 -43.63 146.71 0.92 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.37 31.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.9 p -83.46 107.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.76 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.89 103.62 1.17 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.69 59.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -60.95 152.37 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HD2' ' CD1' ' A' ' 15' ' ' TYR . 8.7 ptt180 -136.38 176.16 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 53' ' ' LEU . 40.5 m-85 -110.05 113.31 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.8 129.79 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 2.6 t80 -91.61 115.28 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -144.7 160.64 40.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -108.44 -23.79 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -122.65 77.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -104.62 126.83 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.88 -44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -146.37 83.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -49.05 176.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 m -107.23 -55.12 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.28 107.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.89 113.59 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -147.97 95.98 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.47 -121.78 27.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -92.45 96.56 10.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.93 145.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.27 157.6 25.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.7 148.59 69.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.09 15.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.29 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.13 93.63 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.24 130.48 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -105.04 105.02 14.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.26 133.18 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 52.1 m-85 -102.19 146.48 27.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -104.64 145.14 30.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.47 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.58 -46.05 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 137.94 -27.56 2.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 126.79 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.24 129.24 46.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.827 ' HE ' HD22 ' A' ' 39' ' ' LEU . 5.4 ptm85 -137.61 146.19 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -130.38 160.51 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.7 m -137.48 151.0 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.75 113.2 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.4 176.95 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -142.85 154.61 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 161.39 -51.92 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.01 155.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -120.49 178.15 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -21.32 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -76.27 -44.38 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -51.29 -57.97 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.65 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG12 ' CD1' ' A' ' 39' ' ' LEU . 72.3 t -55.57 -52.86 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' O ' HG22 ' A' ' 40' ' ' VAL . 52.5 m -47.46 -40.6 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 8.7 mm-40 -75.76 -43.49 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 84.0 mtp -63.65 -23.36 67.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.827 HD22 ' HE ' ' A' ' 22' ' ' ARG . 70.8 mt -87.65 -60.47 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 36' ' ' CYS . 13.3 m -47.91 -47.5 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 63.09 80.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -149.79 -57.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.38 132.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 61.11 58.49 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.28 58.43 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -72.97 123.43 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.4 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 175.97 -80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -131.31 59.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.363 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -40.42 -61.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.598 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 12.3 m95 65.64 161.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.2 -178.1 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.4 mt -105.77 151.61 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 90' ' ' ARG . 73.8 t -136.72 113.45 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 4.5 pt-20 -73.28 133.45 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.59 142.3 46.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.4 m-70 -114.76 94.06 35.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.74 4.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.789 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.0 p-80 -168.38 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.06 -3.45 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.81 49.93 19.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.69 159.14 20.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -144.86 107.54 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -119.43 143.34 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -107.1 138.7 14.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.38 150.04 37.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -173.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -73.39 -54.28 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -48.04 -34.09 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 126.08 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.91 125.8 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 2.0 m -58.53 -38.39 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.58 -62.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.58 -37.19 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 71' ' ' SER . 90.8 t -80.32 -34.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -69.52 -34.29 74.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.77 62.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.23 77.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.9 m0 -50.19 150.94 3.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.1 p -97.61 117.87 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.77 -63.18 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 165.18 22.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -95.66 41.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 18.5 p -39.73 152.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -166.98 174.34 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -107.04 163.83 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' VAL . 70.0 t -137.71 152.15 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 3.2 t80 -116.46 114.69 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.596 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.1 ptm180 -149.6 160.5 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.598 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -110.19 -21.71 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -124.11 79.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -111.41 137.82 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 72.22 57.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.1 t -142.59 -60.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.98 173.39 40.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.61 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.38 157.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -108.97 -58.56 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -155.85 97.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.988 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -158.29 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.26 89.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.17 99.04 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.5 77.92 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.54 69.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.9 157.99 87.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.75 6.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -110.95 123.81 50.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.4 m -87.82 40.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.0 t -29.91 121.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.78 110.77 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 39' ' ' LEU . 10.2 t -102.38 94.15 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 57.5 m-85 -66.61 146.83 54.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 25.6 p -116.52 144.99 43.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.09 -41.78 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -45.26 81.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 121.49 -13.23 9.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.87 -59.7 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 47.5 t 68.31 129.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -121.56 165.3 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -132.05 135.17 46.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG21 HG13 ' A' ' 35' ' ' VAL . 3.1 m -125.64 132.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -85.16 104.25 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 156.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -79.74 1.72 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 89.23 -38.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -23.08 53.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.35 175.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -127.26 -169.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -67.59 -31.71 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.55 -47.72 71.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.39 -62.25 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG13 HG21 ' A' ' 24' ' ' VAL . 68.8 t -47.95 -48.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.2 t -53.42 -56.12 19.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.14 -45.76 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.6 mtp -61.61 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.4 mt -56.3 -52.55 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 36' ' ' CYS . 59.8 t -58.37 -56.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' VAL . 11.1 pt20 37.18 58.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.51 126.97 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.53 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 97.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.28 177.32 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.1 tp 70.11 -72.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.1 p -54.56 110.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 59.03 163.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 54.02 59.91 3.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 12.8 t -52.86 178.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 71.0 m95 -155.94 178.7 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.46 37.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.5 mt -100.28 150.82 22.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.6 t -136.65 114.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' OE1' HD22 ' A' ' 66' ' ' LEU . 2.4 pt-20 -77.63 126.75 31.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.47 145.15 36.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 48.1 m-70 -116.11 93.17 37.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.35 3.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.719 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.8 p-80 -166.07 -42.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.38 -2.66 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.81 49.97 16.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.12 159.74 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -145.15 107.48 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NE ' ' OE2' ' A' ' 55' ' ' GLU . 17.3 ttp180 -116.82 147.68 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.7 130.92 9.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD22 ' OE1' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -106.85 155.0 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.25 173.1 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -65.22 -59.59 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.448 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 12.5 p80 -40.91 -44.38 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 6.2 mm-40 -49.95 127.88 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -79.38 116.59 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -43.72 -44.81 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.62 HG21 ' HA ' ' A' ' 28' ' ' ALA . 17.4 t -65.28 -63.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -46.9 -24.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 71' ' ' SER . 86.7 t -88.2 -44.65 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.97 -4.77 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -90.3 -23.43 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.78 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.8 m0 -45.97 137.99 5.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.3 Cg_endo -75.01 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.44 146.06 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -53.78 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 121.62 25.96 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.04 51.87 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 16.4 m -49.03 160.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -164.02 170.77 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -104.47 152.09 22.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' VAL . 59.2 t -135.99 128.48 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.9 t80 -91.37 118.33 30.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -151.0 141.86 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 1.2 ptpt -99.32 171.21 8.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.96 28.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 93' ' ' PHE . 2.1 p90 -80.44 131.54 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.77 -74.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -130.18 88.7 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.87 146.82 45.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.81 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.3 168.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.59 167.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -153.18 145.63 24.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.31 107.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.19 -163.46 10.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 m -100.2 96.08 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -160.49 -60.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.54 111.77 0.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 158.62 87.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -112.77 116.83 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.7 m -90.17 35.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' VAL . 12.9 t -31.91 131.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -100.7 128.79 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.6 t -119.45 103.87 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 84.5 m-85 -80.35 144.18 32.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.05 150.01 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.66 -45.61 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -44.1 76.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.75 -27.46 3.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.99 116.75 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.774 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.48 146.4 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 22' ' ' ARG . 2.7 ptm85 -147.75 147.55 30.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 9.6 p -115.69 147.84 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -131.95 128.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.33 111.63 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.69 148.13 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -92.75 172.56 8.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.94 64.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -159.38 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 159.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 p -127.07 -173.13 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -68.03 -9.71 47.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.59 20.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -67.27 -57.6 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.3 t -48.26 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.907 ' O ' HG22 ' A' ' 40' ' ' VAL . 46.5 t -42.18 -39.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 5.3 mm-40 -78.15 -43.35 29.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmm -63.01 -21.72 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 14' ' ' VAL . 56.0 mt -89.91 -62.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 36' ' ' CYS . 12.3 m -44.75 -47.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -42.64 113.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -155.2 -48.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.09 -60.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.05 -66.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 47.09 88.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.94 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.28 92.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -145.35 113.98 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.74 154.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 44.5 p -86.3 159.97 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 50' ' ' THR . 54.9 m95 -155.84 169.32 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.984 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.49 -153.0 9.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.8 mt -128.92 151.56 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 50.9 t -138.65 116.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.77 125.75 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.48 144.08 36.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.6 m-70 -113.88 93.35 28.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.747 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -167.63 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.747 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.34 -4.92 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.2 51.26 12.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.29 158.96 25.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -144.95 107.8 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -116.72 137.05 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.82 132.69 11.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.29 154.59 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.306 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.0 mt-10 -68.67 -170.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -49.74 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -57.82 -25.35 60.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.86 134.57 51.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -82.67 108.86 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -45.27 -44.16 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.6 t -62.37 -41.16 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.1 mt-10 -69.95 -29.3 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 66' ' ' LEU . 89.8 t -84.73 -28.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.6 pt20 -89.11 -20.79 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.22 -32.23 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.02 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -43.02 137.71 2.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 108.04 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.37 20.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.08 -38.45 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.75 59.68 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.24 120.94 0.78 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.26 53.63 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 71.6 m -55.37 147.28 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.71 -179.26 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.74 149.24 38.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -132.02 131.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 7.8 t80 -92.33 116.3 28.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' NE ' ' HB2' ' A' ' 93' ' ' PHE . 8.1 ptm180 -151.96 149.79 29.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -99.04 -40.3 8.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.15 100.98 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.603 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 1.5 p90 -133.29 131.16 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 77.26 94.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' ALA . 88.5 p -39.38 148.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.73 -69.12 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 62.64 5.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -146.69 166.93 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -78.55 123.2 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -153.53 -58.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.54 150.41 38.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.72 118.39 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.9 -58.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.15 88.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.12 -129.76 26.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 164.92 55.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.01 9.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -91.37 114.79 27.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.5 m -89.62 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 11' ' ' VAL . 18.6 t -29.79 125.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 3.1 mtpp -99.91 115.72 30.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 35' ' ' VAL . 34.3 t -107.95 98.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 59.0 m-85 -67.42 151.2 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -114.41 149.57 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.86 -44.13 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -54.69 -40.61 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 131.86 -32.21 2.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 118.77 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 21' ' ' CYS . 30.1 p -99.3 110.01 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.8 mmt180 -104.25 157.28 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.3 p -132.09 137.57 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.37 131.39 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -81.57 104.51 12.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 30' ' ' ALA . 5.9 m -130.05 155.65 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -90.28 171.68 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 65.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -164.71 -41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . . . -46.61 153.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.0 p -124.38 161.75 25.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 53' ' ' LEU . . . -38.69 -39.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 3.4 tmm_? -51.32 -69.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ARG . 27.7 m80 -38.47 -57.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 14' ' ' VAL . 59.4 t -44.16 -49.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' ARG . 46.1 t -54.21 -55.62 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.81 -53.47 48.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtm -56.27 -58.57 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 14' ' ' VAL . 94.1 mt -52.7 -59.72 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t -43.86 -55.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.21 125.23 22.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.51 -60.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.92 -55.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -132.95 77.1 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.613 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.21 73.4 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.21 -75.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -69.07 135.79 51.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -159.81 117.61 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.73 48.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m 70.61 -63.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 45.7 m95 65.38 -175.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.66 -141.84 4.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.152 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 32' ' ' ALA . 7.4 mt -139.38 154.29 47.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' VAL . 89.2 t -141.57 113.44 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.05 125.45 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.1 144.51 32.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 46.4 m-70 -115.43 92.97 34.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.76 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.4 p-80 -166.58 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.94 -2.95 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.57 52.34 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.9 160.76 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -145.12 107.54 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 1.6 ttp180 -115.2 139.8 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.73 145.82 15.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 155.22 43.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.6 mm-40 -72.19 -171.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.514 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -84.65 -41.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -64.44 -18.03 64.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -80.12 112.17 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' CA ' ' A' ' 32' ' ' ALA . 1.6 m -53.59 -41.47 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 19.4 t -63.97 -63.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.32 -23.09 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 71' ' ' SER . 67.8 t -88.35 -31.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.8 pt20 -88.95 -6.47 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.93 -23.05 29.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.74 -28.01 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 46.6 m0 -43.72 139.86 2.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.48 133.84 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.41 -63.86 0.35 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.12 145.42 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.36 43.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 2.1 m -45.75 144.79 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.12 -178.35 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -115.27 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -125.45 149.55 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.453 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 12.7 t80 -112.31 114.84 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -152.34 152.43 32.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -104.25 -25.28 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -110.41 106.76 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.1 t80 -175.19 131.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 71.63 135.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -164.79 127.29 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' SER . . . 37.85 -124.19 1.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 80.36 2.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.72 -42.15 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.79 -93.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.8 24.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -110.44 107.63 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.37 94.23 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.99 127.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -101.94 100.98 11.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 35' ' ' VAL . 11.9 t -98.19 126.1 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 88.9 m-85 -98.12 144.1 27.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.3 t -106.39 150.67 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.18 -52.69 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -45.04 -45.09 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 133.93 -34.25 2.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 125.63 20.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.733 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 26.9 t -97.54 128.09 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.358 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -118.85 116.15 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.4 p -92.43 158.69 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.86 136.6 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.39 105.13 12.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.37 176.76 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -140.52 159.56 41.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.71 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.36 -51.42 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.2 128.97 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -92.11 -178.2 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -65.78 -13.67 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -89.25 -35.69 16.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -58.35 -36.43 73.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 14' ' ' VAL . 55.0 t -70.2 -46.4 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 t -54.98 -46.31 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.67 -58.15 9.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmm -52.08 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 35' ' ' VAL . 95.5 mt -47.73 -64.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 28.0 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.68 -169.72 42.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -118.67 150.12 40.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG21 ' HD3' ' A' ' 90' ' ' ARG . 72.2 t -136.9 115.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.7 pt-20 -74.23 129.07 37.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.13 144.02 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.262 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-70 -113.66 93.92 30.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.45 3.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.7 p-80 -166.23 -42.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -101.32 -3.64 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.78 46.63 22.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.86 161.22 17.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.81 109.85 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 3.7 ttp180 -116.43 138.68 51.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.12 138.57 14.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -115.36 156.09 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -171.69 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -77.49 -52.95 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -51.06 -28.21 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.577 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.6 136.82 56.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.2 m -94.82 115.82 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.1 m -51.88 -40.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 60.5 t -65.87 -60.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -50.27 -39.35 44.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 84.7 t -78.06 -30.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.3 tt0 -74.22 -33.16 63.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -73.62 -18.21 61.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.98 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 49.9 m0 -47.15 139.45 7.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.98 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.4 p -72.98 -45.89 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -76.48 59.52 3.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.11 107.16 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.02 61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 21.7 m -57.65 154.43 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -152.31 171.68 17.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -107.26 150.14 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.6 t -130.92 143.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 5.8 t80 -104.19 116.38 32.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.2 ptm180 -150.16 146.58 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.03 19.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' O ' HG22 ' A' ' 26' ' ' VAL . 92.2 m-70 -103.12 110.89 23.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.01 92.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.41 131.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -105.5 103.87 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HG11 ' A' ' 35' ' ' VAL . 20.1 t -97.38 135.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 89.3 m-85 -112.93 144.61 42.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -106.01 147.28 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.77 -51.55 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.64 -44.96 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.93 -27.06 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 114.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.05 155.26 18.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -166.99 137.61 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.2 m -118.99 159.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 13.7 m -136.14 146.23 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.0 108.8 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 35.6 m -126.13 172.61 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.79 155.9 48.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.35 -51.83 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.1 146.81 8.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -114.71 -175.38 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -62.97 -14.34 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -85.7 -44.41 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -50.21 -50.42 49.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.6 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 76.8 t -55.09 -54.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -46.78 -56.0 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.19 -52.17 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.511 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 36.5 mtp -55.91 -56.07 25.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 80.1 mt -56.82 -55.97 27.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 91' ' ' LYS . 69.8 m95 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.31 -175.69 46.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.5 mt -108.01 148.27 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' VAL . 86.4 t -136.55 114.08 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.7 pt-20 -72.34 127.59 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.6 m-70 -113.38 94.51 31.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.698 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.9 p-80 -167.39 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -103.14 -4.03 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.67 50.85 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.26 162.19 17.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -144.01 107.68 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.9 tpp180 -115.84 142.28 46.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -108.22 139.92 15.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.14 152.08 35.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -73.75 -171.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -79.47 -52.77 7.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -52.36 -26.74 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.06 129.27 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -50.76 -41.82 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.9 t -64.5 -55.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.59 -40.91 69.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.22 -27.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -77.71 -32.36 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.51 -29.09 59.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.38 90.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 52.2 m0 -47.28 146.62 3.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.32 29.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.42 -54.15 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 51.29 4.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.35 80.94 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' SER . 1.2 m-20 -40.38 -55.17 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 36.3 m 54.6 167.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.958 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -171.53 168.47 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.3 m-85 -102.76 138.87 39.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.436 HG21 ' SG ' ' A' ' 56' ' ' CYS . 99.5 t -120.93 134.87 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -94.41 117.48 30.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.72 140.62 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -110.13 111.93 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.92 94.1 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -78.1 130.81 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -97.36 103.11 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG11 ' CD1' ' A' ' 39' ' ' LEU . 13.0 t -101.8 113.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 90.5 m-85 -89.74 139.68 30.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.5 t -102.66 151.47 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -56.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -44.26 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 132.67 -31.63 2.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.98 120.48 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.03 126.72 34.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.325 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -115.28 98.22 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 m -78.99 149.66 32.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.44 135.67 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.1 112.87 20.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.98 179.85 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -129.5 168.06 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 175.05 -38.36 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.96 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -113.58 -178.55 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -13.84 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -82.08 -46.05 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.11 -47.32 71.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.583 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.0 t -60.15 -53.71 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -47.18 -49.35 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.0 -56.45 21.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.0 mmm -51.86 -56.96 10.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 93.1 mt -50.45 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 30.7 m95 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.07 -179.09 44.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 66' ' ' LEU . 7.0 mt -101.22 156.05 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 ' HD3' ' A' ' 90' ' ' ARG . 48.2 t -140.11 113.98 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.8 pt-20 -78.18 122.05 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.69 142.67 31.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.72 93.82 30.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.4 3.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.695 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.4 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -5.34 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.88 52.32 9.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.62 158.97 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -144.96 111.16 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -115.99 146.28 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.15 88.89 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.5 pt? -57.12 155.33 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -167.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -49.07 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -59.87 -20.77 59.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.84 134.97 57.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -86.59 123.94 32.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' GLN . 2.3 m -58.78 -36.82 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.75 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.1 -36.76 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 71' ' ' SER . 62.9 t -80.77 -35.65 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -67.93 -38.47 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.79 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.21 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 85' ' ' SER . 53.1 m0 -46.57 145.9 2.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.99 163.88 34.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.18 -54.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.51 70.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.06 124.41 6.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.49 56.21 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB3' ' CE3' ' A' ' 79' ' ' TRP . 29.8 t -55.48 155.88 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -151.98 173.75 14.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -108.55 137.23 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.3 t80 -91.48 114.6 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.4 ptm85 -147.28 137.89 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 ptpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -97.27 112.47 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -90.59 91.92 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 49.7 t -76.11 127.19 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -102.65 98.61 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 39' ' ' LEU . 16.5 t -90.82 123.9 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 95.1 m-85 -99.03 139.73 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 p -98.21 145.47 26.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -42.83 -48.07 5.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 -46.64 60.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.13 -28.45 2.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.12 122.08 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.38 141.5 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -140.23 147.03 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 10.8 p -126.29 149.41 49.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 12.6 m -134.93 141.99 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.63 109.79 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 30.4 m -133.93 163.34 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -131.67 158.98 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.92 -52.37 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.43 147.14 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -112.93 178.13 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 66' ' ' LEU . . . -57.13 -26.1 59.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -74.57 -44.63 50.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -48.98 -52.13 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 39' ' ' LEU . 51.2 t -59.23 -51.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 41.4 t -48.42 -51.24 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.29 -52.95 63.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.23 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 mtp -53.86 -57.45 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 35' ' ' VAL . 39.0 mt -53.38 -59.57 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' CYS . 38.7 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.76 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 21.4 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . . . -175.18 -167.07 33.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.2 mt -117.92 150.8 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HD3' ' A' ' 90' ' ' ARG . 60.1 t -142.83 113.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 6.0 pt-20 -74.16 121.74 21.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.09 141.81 34.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 39.8 m-70 -113.28 93.98 28.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 57' ' ' HIS . 3.4 p-80 -166.21 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 109.636 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.16 -1.59 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.28 46.63 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 160.26 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.72 107.26 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 21.9 ttm180 -117.01 139.63 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.03 138.13 14.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -113.24 152.76 29.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.6 mt-10 -75.56 -174.97 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -73.36 -54.01 9.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.64 -34.68 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 70' ' ' GLU . 5.4 mm-40 -55.59 125.93 23.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -83.77 131.16 34.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG13 ' HA ' ' A' ' 32' ' ' ALA . 2.4 m -63.05 -38.35 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.12 -57.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 71' ' ' SER . 93.1 t -81.38 -31.61 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.99 -35.01 66.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.04 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.6 m0 -47.82 140.87 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.97 -55.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.68 60.03 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.41 113.85 0.45 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.74 55.95 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 13.0 m -64.4 138.16 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 7.7 ptt180 -129.48 -175.63 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -117.79 111.88 19.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.21 134.63 39.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 9.7 t80 -97.1 121.06 38.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HD3' HG11 ' A' ' 54' ' ' VAL . 8.7 ptm180 -149.11 146.09 27.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.77 107.96 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t -88.49 93.68 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.22 126.87 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -102.46 98.78 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 t -88.06 111.23 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 97.2 m-85 -83.25 138.43 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -101.21 158.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.94 44.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.22 50.01 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -116.22 54.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -57.56 143.12 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -146.81 116.01 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -80.7 154.48 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 3.7 m -142.55 142.29 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.74 106.38 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 170.66 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.0 154.66 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.59 97.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.95 -53.0 0.38 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.53 156.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 p -123.64 179.94 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -58.65 -19.12 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.1 tpt180 -79.35 -49.08 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.77 -54.86 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.22 -55.89 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 32.3 t -45.92 -55.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 108.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.78 -52.02 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 19.0 mtp -56.28 -60.2 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -52.81 -52.57 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' CYS . 11.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.669 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 26.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.54 -176.65 46.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.4 mt -106.24 151.5 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 90' ' ' ARG . 54.5 t -138.15 116.89 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -76.36 116.11 16.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 144.28 27.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 38.1 m-70 -112.7 94.79 30.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.27 4.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.5 p-80 -167.18 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.89 -1.87 28.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.29 49.42 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.73 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.12 161.5 19.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.73 ' H ' HD13 ' A' ' 62' ' ' LEU . 3.4 mp0 -145.14 106.16 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -112.86 139.84 48.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -104.19 141.52 15.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 152.48 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -176.7 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -73.75 -55.48 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.94 128.19 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -87.0 122.7 31.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 1.7 m -56.27 -38.69 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.22 -62.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.58 -39.17 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' SER . 97.6 t -78.32 -30.61 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.5 tt0 -73.75 -34.67 64.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.92 62.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 45.0 m0 -44.84 142.06 2.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.4 p -84.08 119.53 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.01 -46.56 1.07 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.128 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.22 111.61 3.37 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -76.17 57.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 34.8 m -58.96 142.94 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 8.5 ptt180 -132.27 172.28 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 53' ' ' LEU . 34.1 m-85 -108.59 113.69 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.0 t -100.0 130.61 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.669 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -91.47 118.88 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.7 ptm180 -146.94 146.17 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.55 24.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -104.07 107.14 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.4 t -85.06 92.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.7 t -70.78 133.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -107.56 98.66 8.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 35' ' ' VAL . 4.6 t -97.3 117.63 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 72.4 m-85 -94.17 146.46 23.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -108.39 146.19 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.57 -51.65 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -45.26 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.22 -29.56 2.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.44 103.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.47 121.42 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 108.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -107.86 161.83 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -132.01 146.59 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.33 140.0 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.83 116.29 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' VAL . 27.8 m -139.91 161.19 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.53 152.42 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 97.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.62 -47.31 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.15 151.47 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 p -118.86 -175.83 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -66.92 -10.48 49.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -37.38 19.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -62.77 -56.09 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 14' ' ' VAL . 47.8 t -51.57 -60.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.922 ' O ' HG13 ' A' ' 40' ' ' VAL . 47.1 t -43.33 -49.24 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 40' ' ' VAL . 3.0 mm-40 -63.57 -36.9 85.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.8 mtp -73.48 -25.19 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 35' ' ' VAL . 44.4 mt -89.9 -56.18 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 36' ' ' CYS . 33.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . 25.8 m95 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.58 -172.96 23.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.2 mt -113.75 149.81 34.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 88' ' ' VAL . 52.3 t -139.01 118.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.71 130.74 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.548 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -109.92 143.5 39.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -114.06 92.65 27.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.58 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.73 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.6 p-80 -166.23 -42.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.93 -3.67 27.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.83 51.69 13.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.55 162.93 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.85 107.68 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -118.33 141.4 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.32 130.13 10.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -103.33 160.3 14.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.96 -177.82 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -49.79 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -60.42 -26.23 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -50.96 131.27 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -77.16 108.53 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -42.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.0 t -64.27 -64.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -48.02 -24.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 71' ' ' SER . 59.0 t -88.1 -43.15 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.7 pt20 -75.84 -7.52 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -86.75 -33.98 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.33 73.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -44.76 140.79 3.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 172.99 15.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.44 137.93 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.57 -44.44 2.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -39.7 -39.66 1.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 59.6 40.77 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 20.3 m -60.15 153.27 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.44 -175.81 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.1 m-85 -115.94 141.03 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG21 ' SG ' ' A' ' 56' ' ' CYS . 89.2 t -123.62 130.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 51' ' ' TRP . 7.9 t80 -91.4 117.5 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -151.81 145.13 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.24 7.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -111.83 107.58 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.97 91.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 24' ' ' VAL . 38.5 t -77.49 127.96 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -98.77 98.53 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.4 t -97.22 130.26 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 91.5 m-85 -102.75 140.47 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 p -91.65 146.8 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 3.1 mt-10 -44.84 -39.67 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.16 -45.75 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.36 -25.2 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 113.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.86 124.39 32.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.41 164.54 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 159.57 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -147.39 140.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -95.43 104.88 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 m -128.97 166.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -124.91 153.03 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 98.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 157.55 -51.12 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.41 139.91 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.91 179.05 4.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -58.61 -16.69 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tpt180 -81.6 -35.66 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -63.76 -46.92 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 14' ' ' VAL . 78.9 t -59.17 -46.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.17 -53.35 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.47 -55.37 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -61.17 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 14' ' ' VAL . 72.4 mt -45.51 -55.62 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 12.0 m95 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.67 -175.97 34.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.3 mt -112.03 151.41 29.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.61 HG11 HH11 ' A' ' 90' ' ' ARG . 90.2 t -131.25 124.57 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -89.49 113.13 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.24 144.8 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -114.92 90.85 24.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.08 3.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.768 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.5 p-80 -166.08 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -100.63 -3.07 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.12 46.42 19.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.07 157.19 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.55 106.77 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -117.51 150.38 39.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.77 136.37 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.67 157.12 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.1 mt-10 -73.95 -171.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.28 -52.97 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -50.75 -24.4 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.96 132.3 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -82.92 115.09 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLN . 1.3 m -53.04 -39.25 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.62 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.78 -38.76 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 71' ' ' SER . 87.0 t -77.84 -32.72 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.97 -33.37 65.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.248 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.8 -33.16 58.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.6 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 43.6 m0 -58.61 147.9 68.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.75 36.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.8 p -62.5 -47.07 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -87.83 40.23 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ASP . . . -151.87 73.92 0.26 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLY . 0.5 OUTLIER -39.44 -57.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 19.4 m 58.44 155.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -145.31 172.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 7.2 m-85 -113.31 120.37 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 86' ' ' ARG . 2.5 t -101.62 153.48 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.3 t80 -112.17 113.25 25.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.61 HH11 HG11 ' A' ' 54' ' ' VAL . 1.3 mtp180 -135.33 153.29 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.32 10.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -115.34 107.25 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.59 91.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 14' ' ' VAL . 94.3 t -75.28 140.91 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -117.78 99.34 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.747 HG22 ' CB ' ' A' ' 87' ' ' PHE . 76.0 t -105.22 133.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 55.1 m-85 -100.51 141.66 33.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' GLY . 65.7 p -88.86 139.48 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CG ' ' NE ' ' A' ' 90' ' ' ARG . 5.2 mt-10 -44.09 -39.0 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.82 -42.48 90.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 139.77 -27.72 2.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -63.13 102.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.45 162.21 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 108.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.678 ' NE ' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -149.37 174.03 12.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 30.2 m -134.56 144.06 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.55 146.59 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.39 106.86 19.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 29.3 m -128.37 156.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.64 176.87 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 85.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.15 -52.52 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.25 136.93 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -105.23 -173.69 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.54 -19.04 55.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -82.24 -48.1 11.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -45.76 -48.59 15.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' MET . 79.2 t -64.42 -58.32 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 t -42.78 -30.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.315 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' VAL . 3.2 mm-40 -81.67 -44.24 17.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.594 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 27.4 mtp -59.39 -50.95 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' NE ' ' A' ' 22' ' ' ARG . 14.2 mt -57.31 -58.62 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 36' ' ' CYS . 5.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.64 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 19.5 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.18 -159.85 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.1 mt -121.57 152.52 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 23.7 t -140.59 113.35 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -78.75 117.92 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.56 145.12 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -112.8 94.5 29.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.656 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.2 p-80 -167.08 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.652 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.01 -2.22 30.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.74 47.99 21.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.755 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -114.78 161.81 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.755 ' H ' HD13 ' A' ' 62' ' ' LEU . 12.4 mp0 -144.93 109.82 5.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -120.41 144.3 48.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.34 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -112.6 137.63 14.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -111.82 153.79 26.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -77.55 -176.17 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -70.35 -55.01 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -45.6 -41.1 9.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -49.55 126.44 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -86.08 119.66 26.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -51.31 -40.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.95 -63.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.71 -36.87 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 71' ' ' SER . 59.8 t -80.07 -34.34 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -71.06 -32.17 68.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.66 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.66 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 37.6 m0 -45.42 142.65 3.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.9 30.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.0 125.0 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.25 -69.5 0.53 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.19 126.35 36.0 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -76.72 57.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 22.6 m -51.05 142.56 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.41 165.38 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.747 ' CB ' HG22 ' A' ' 14' ' ' VAL . 17.7 m-85 -101.17 164.44 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG11 ' HE ' ' A' ' 90' ' ' ARG . 24.5 t -143.15 143.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.64 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.0 t80 -102.78 113.92 27.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HE ' HG11 ' A' ' 88' ' ' VAL . 78.9 mtt180 -134.29 164.91 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 1.2 ptpp? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -104.68 108.06 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.7 97.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.63 124.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.58 114.79 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 35' ' ' VAL . 38.1 t -113.01 105.62 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' CYS . 73.2 m-85 -84.32 159.55 20.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -116.6 153.51 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.964 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.57 -48.91 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -50.0 -45.66 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.68 -34.68 2.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.17 133.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . 30.3 p -94.23 130.95 40.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -134.23 112.2 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -104.82 156.96 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.503 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.6 m -133.34 145.43 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.27 114.42 21.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -138.54 169.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -134.61 160.08 39.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.6 -50.0 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.62 146.37 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 p -115.76 179.17 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.39 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.402 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.97 -42.55 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -55.02 -59.6 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 14' ' ' VAL . 59.5 t -44.27 -61.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' O ' HG22 ' A' ' 40' ' ' VAL . 42.7 t -43.12 -62.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.4 mm-40 -51.69 -39.58 58.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.503 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 79.3 mtp -68.87 -33.73 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' VAL . 85.6 mt -80.02 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 37' ' ' GLU . 33.6 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 91' ' ' LYS . 29.9 m95 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.39 6.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 53' ' ' LEU . 5.9 mt -130.61 149.89 52.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 88' ' ' VAL . 59.0 t -137.69 114.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.5 pt-20 -73.92 134.5 43.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -115.33 143.37 45.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -113.94 93.13 28.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 55.04 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.771 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.714 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.3 p-80 -165.7 -42.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -3.48 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.75 50.74 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.29 160.91 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.24 109.38 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.2 ttp180 -117.99 142.59 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.1 133.91 11.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.425 HD21 ' HE1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -110.81 155.27 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -62.92 -172.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.61 -51.46 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -57.5 -22.53 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 136.79 34.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 74' ' ' GLU . 1.5 m -86.41 107.5 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -46.29 -40.7 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 78.2 t -64.9 -61.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' A' ' 71' ' ' SER . 3.1 mt-10 -48.01 -38.49 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -78.68 -33.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -71.45 -29.98 65.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.9 -29.03 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.42 96.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -42.69 147.17 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.19 35.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 81' ' ' VAL . 94.3 t -94.53 69.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.0 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -91.35 132.3 11.21 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.96 58.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 58.8 m -52.78 153.13 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.14 167.89 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.425 ' HE1' HD21 ' A' ' 66' ' ' LEU . 22.1 m-85 -104.69 147.11 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' VAL . 90.0 t -129.07 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.4 t80 -104.06 117.62 34.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -149.33 153.77 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -101.39 113.41 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.04 98.56 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.73 132.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -105.25 102.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -97.37 128.56 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 68.8 m-85 -100.69 147.64 25.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.44 148.51 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.94 -52.31 7.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -45.98 -41.75 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.93 -26.76 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 142.05 16.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.25 134.37 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.269 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -132.91 146.49 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 150.7 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 132.12 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 108.01 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.3 175.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -138.89 155.67 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.85 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 156.1 -47.61 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.07 137.96 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 p -103.41 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.29 -24.79 65.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -78.44 -44.14 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 38' ' ' MET . 14.2 m80 -47.92 -50.53 26.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.7 t -57.78 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.906 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.0 t -43.62 -50.69 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -63.93 -43.05 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 1.4 mmm -66.73 -19.64 65.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.4 mt -91.86 -57.84 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 36' ' ' CYS . 10.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 50.1 m95 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.91 -148.22 7.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 87' ' ' PHE . 6.4 mt -132.68 150.38 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.7 t -136.87 113.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 pt-20 -74.19 124.55 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.92 143.4 33.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.47 93.87 29.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.4 p-80 -167.15 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.32 -3.07 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.03 47.16 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.21 162.35 16.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -144.1 108.82 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 32.9 ttm-85 -116.44 142.24 47.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.19 135.18 12.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.94 150.73 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.0 mm-40 -74.49 -176.83 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -73.41 -55.91 5.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -44.8 -34.87 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.24 124.27 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -80.52 116.59 20.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -49.97 -42.16 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' ALA . 61.7 t -65.33 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.94 -38.1 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 71' ' ' SER . 99.3 t -78.68 -32.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -73.38 -31.64 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.52 -32.51 60.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.22 77.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.7 m0 -47.22 148.78 1.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.81 30.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.4 t -96.92 66.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.68 -47.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.518 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -94.87 129.38 9.88 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.66 59.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 45.1 m -55.76 143.57 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.051 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -141.99 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 53' ' ' LEU . 39.6 m-85 -105.18 149.98 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' VAL . 98.5 t -131.02 143.81 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 11.5 t80 -104.61 118.7 37.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.0 ptm180 -154.81 152.23 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.34 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.45 107.18 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.3 t -88.28 95.3 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -82.4 127.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.93 107.5 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 35' ' ' VAL . 25.4 t -104.12 133.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 77.7 m-85 -112.58 138.08 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -90.11 140.55 29.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.31 -42.46 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -41.43 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 138.26 -27.56 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.32 124.18 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.51 147.03 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' NH2' ' OG ' ' A' ' 16' ' ' SER . 1.5 ptt180 -163.12 144.85 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -119.84 153.57 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.67 144.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.13 105.85 16.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.64 164.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.91 174.63 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.98 82.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.59 -51.04 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 144.26 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 p -107.97 -178.39 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -57.08 -33.09 66.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.3 tpt180 -68.82 -46.45 68.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -45.43 -60.01 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 14' ' ' VAL . 36.8 t -45.1 -63.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 40' ' ' VAL . 18.2 t -41.53 -67.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.623 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 4.5 mm-40 -47.24 -45.5 23.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -18.49 65.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 14' ' ' VAL . 98.5 mt -93.57 -59.29 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 36' ' ' CYS . 2.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.626 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 58.5 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.89 -168.94 28.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.1 mt -113.93 151.08 32.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.64 115.55 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -81.34 121.44 26.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.35 145.33 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.349 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.9 m-70 -113.14 94.05 28.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.411 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 56.9 4.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.692 ' CD2' HD21 ' A' ' 60' ' ' LEU . 6.7 p-80 -167.75 -41.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.42 -2.2 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.28 47.97 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.723 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -115.82 161.95 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.723 ' H ' HD13 ' A' ' 62' ' ' LEU . 8.8 mp0 -145.28 108.56 4.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 15.6 tpp180 -117.7 150.84 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -115.99 136.04 12.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -109.86 155.15 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 34.1 mt-10 -79.94 -178.73 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.48 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -68.07 -54.97 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 18.5 p-80 -43.65 -46.55 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 5.9 mm-40 -43.52 130.98 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.65 113.23 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -46.64 -41.92 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' ALA . 56.5 t -65.13 -59.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.48 -39.0 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -78.52 -29.68 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -75.05 -31.5 61.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.65 -37.28 62.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.15 79.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 47.4 m0 -46.23 143.09 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.74 34.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.69 121.26 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.42 -34.9 5.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.76 -33.68 4.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 59.26 30.36 20.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.4 m -57.43 155.07 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -139.12 -179.01 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 53' ' ' LEU . 6.5 m-85 -118.0 124.31 47.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 86' ' ' ARG . 10.8 t -104.21 151.21 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.1 t80 -111.53 114.46 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HE ' HG11 ' A' ' 88' ' ' VAL . 81.5 mtt180 -135.01 151.96 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 51' ' ' TRP . 3.6 ptpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 91.4 m-70 -106.39 109.86 21.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -92.18 92.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.39 133.8 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -105.9 104.28 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.2 t -98.15 133.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 61.7 m-85 -109.25 143.04 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.75 147.0 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -39.64 -59.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -40.47 -45.0 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.27 -30.0 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.16 126.11 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.28 130.51 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 39' ' ' LEU . 15.7 ptp180 -133.99 147.5 51.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 p -121.23 142.67 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 14.1 m -124.49 146.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.43 117.04 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 10' ' ' HIS . 33.8 m -136.75 165.52 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -127.85 176.89 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.7 78.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.26 -49.29 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.1 146.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -112.95 177.25 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -56.07 -34.61 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -66.34 -46.34 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -45.99 -59.43 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 53' ' ' LEU . 41.1 t -50.07 -60.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.898 ' O ' HG22 ' A' ' 40' ' ' VAL . 40.6 t -41.93 -51.1 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 mm-40 -62.75 -42.44 99.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.557 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 88.1 mtp -66.91 -22.47 65.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 22' ' ' ARG . 74.9 mt -88.79 -57.58 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 36' ' ' CYS . 11.8 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 52.8 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.58 173.99 46.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.6 mt -97.31 148.31 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG21 ' HD3' ' A' ' 90' ' ' ARG . 79.6 t -136.76 113.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.59 134.31 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.57 143.78 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.7 m-70 -113.9 93.42 29.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.721 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -166.58 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.39 -3.14 29.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.23 49.15 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.88 158.53 24.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.96 109.9 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.8 tpp180 -116.42 138.79 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -101.02 145.0 16.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.64 151.51 44.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 15.1 mt-10 -77.0 -176.14 3.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -70.9 -54.95 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 35.8 p-80 -44.52 -43.04 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -43.58 134.36 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.11 110.83 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -45.61 -40.37 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.76 -63.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -48.11 -39.93 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -30.89 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -73.59 -34.25 64.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.32 -33.47 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.35 84.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.9 m0 -42.85 139.66 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.0 p -93.34 120.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.7 -63.33 0.63 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.9 113.54 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.96 60.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 75.0 m -57.96 153.55 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.7 177.09 10.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' HB3' HD22 ' A' ' 53' ' ' LEU . 26.8 m-85 -114.13 120.51 40.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 86' ' ' ARG . 42.7 t -100.82 132.71 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.37 117.1 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.498 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.5 ptm180 -146.94 152.88 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 4.8 ptpt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.54 18.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -116.76 114.54 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.9 m -88.06 42.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.1 t -32.94 126.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.79 115.36 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 35' ' ' VAL . 37.6 t -110.97 88.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -59.17 145.55 42.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.3 m -113.26 146.39 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -42.24 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -43.13 78.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 105.58 18.67 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.14 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t 63.24 133.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -151.8 148.86 28.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 11' ' ' VAL . 48.8 m -122.23 146.5 47.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.953 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -128.66 131.38 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.8 105.96 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -124.57 163.48 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.82 155.95 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 99.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.99 -49.44 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 128.16 32.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -95.39 -178.76 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -58.97 -16.76 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 4.4 tpt180 -84.94 -45.5 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -48.28 -46.77 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 55.3 t -58.79 -49.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 t -50.64 -47.74 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.45 -58.75 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.8 mmm -48.17 -59.28 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 35' ' ' VAL . 46.4 mt -51.7 -57.67 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 36' ' ' CYS . 48.2 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 57.9 m95 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.87 -136.05 2.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.7 mt -141.18 157.78 44.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.64 113.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 4.6 pt-20 -76.66 120.26 21.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.58 142.82 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 35.2 m-70 -112.77 94.92 31.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.567 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.453 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -75.04 57.94 4.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.804 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.9 p-80 -171.13 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -104.61 -1.66 26.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.69 51.38 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.11 161.75 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.741 ' H ' HD13 ' A' ' 62' ' ' LEU . 4.2 mp0 -145.75 108.26 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 5.4 tpm_? -115.41 140.92 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -103.27 92.91 0.96 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 2.0 pt? -61.92 142.84 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 mt-10 -67.17 -172.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -78.53 -53.11 7.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -52.02 -23.93 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.57 128.79 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -86.41 122.13 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.5 m -57.38 -38.39 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.09 -64.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -46.81 -36.76 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 71' ' ' SER . 79.3 t -80.5 -36.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -68.53 -34.97 76.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.1 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.19 66.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 48.4 m0 -58.69 144.05 80.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.04 32.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.68 -68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.55 58.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.33 -55.7 6.61 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 60.52 32.25 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 33.4 m -59.82 163.12 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 175.84 10.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 53' ' ' LEU . 31.7 m-85 -111.92 142.92 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.92 141.51 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 6.7 t80 -97.9 118.55 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -157.22 147.19 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m-70 -113.96 107.1 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.7 t -89.14 91.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' HB ' HG23 ' A' ' 24' ' ' VAL . 44.3 t -73.72 128.85 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -98.06 100.86 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG21 HG11 ' A' ' 35' ' ' VAL . 25.0 t -95.8 127.35 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 98.5 m-85 -102.49 143.47 32.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 9.6 t -93.45 138.46 31.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.87 -27.22 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -69.65 -34.41 73.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.7 -16.69 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -56.5 161.78 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -136.46 110.77 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.27 157.4 21.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.8 m -128.78 163.48 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 39' ' ' LEU . 2.3 m -147.78 136.59 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.7 104.03 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -133.84 175.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.06 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' NE2' ' A' ' 10' ' ' HIS . . . -79.98 76.16 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.37 144.52 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 67.1 p -106.2 -178.0 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -53.21 -58.88 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.0 tmm_? -45.46 -57.39 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -38.99 -41.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG11 HG21 ' A' ' 14' ' ' VAL . 55.8 t -71.85 -47.89 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 t -51.51 -45.59 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -61.32 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.84 -51.49 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 24' ' ' VAL . 79.0 mt -57.38 -39.09 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' ' HB3' ' A' ' 91' ' ' LYS . 61.2 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.03 -179.65 48.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.9 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.8 mt -102.28 157.35 16.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 88' ' ' VAL . 22.9 t -139.43 113.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 1.9 pt-20 -73.79 104.37 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.02 142.99 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.85 94.4 33.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.5 Cg_endo -74.98 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.717 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.82 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.38 -4.16 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.41 53.01 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.59 160.79 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -145.24 111.33 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.7 tpp180 -120.05 143.54 48.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -109.6 137.22 14.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -109.05 169.57 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.03 -170.62 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.9 p-10 -79.68 -20.39 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -83.82 1.5 42.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 31' ' ' THR . 5.9 mm-40 -99.73 118.28 35.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 112.44 14.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -49.01 -42.51 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 28' ' ' ALA . 12.6 t -62.41 -59.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.85 -40.3 55.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.9 t -76.07 -28.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -77.83 -30.07 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.89 -29.53 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.67 -24.58 59.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 24.4 m0 -48.53 148.49 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.14 31.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.28 139.42 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.75 -57.81 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.14 117.19 8.27 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 21.7 m-20 -81.05 54.46 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 7.6 m -54.55 136.65 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 9.5 ptt180 -126.9 176.15 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CE1' HG12 ' A' ' 72' ' ' VAL . 17.1 m-85 -108.22 111.47 23.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' VAL . 6.7 t -99.98 131.26 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.8 t80 -91.76 115.01 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 88' ' ' VAL . 42.7 mtp180 -133.06 148.27 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 2.6 ptpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.15 11.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.02 109.51 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -88.75 92.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.56 128.28 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -101.43 128.55 47.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 39' ' ' LEU . 24.4 t -125.04 134.15 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 87.7 m-85 -111.81 141.66 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -99.71 151.87 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -46.64 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.46 -43.54 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.88 -31.49 2.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.71 137.86 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.0 p -105.17 146.18 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.235 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -144.97 141.24 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -126.95 155.33 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.452 ' HB ' ' HE3' ' A' ' 38' ' ' MET . 4.2 m -138.1 137.86 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.55 106.13 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.25 164.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -101.62 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -171.41 -39.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 143.73 22.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 68.0 p -108.9 -172.9 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -55.95 -59.57 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tmm_? -45.81 -55.99 5.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -41.03 -41.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 32' ' ' ALA . 46.0 t -72.22 -43.2 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.2 t -56.29 -48.47 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.89 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE3' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -50.11 -56.06 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.6 mt -52.76 -39.97 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 25.4 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.53 -152.52 6.9 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.917 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.1 mt -125.72 147.69 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 ' HD3' ' A' ' 90' ' ' ARG . 70.2 t -136.66 113.75 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.63 130.03 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -108.28 144.4 35.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.66 93.59 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.4 Cg_endo -74.98 55.88 4.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.745 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.9 p-80 -167.02 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.69 -3.36 26.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.31 51.12 14.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.45 163.57 16.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -145.04 108.64 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -116.46 141.9 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.0 154.02 17.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -129.84 161.41 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -90.51 -170.91 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.6 p30 -79.59 -23.79 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 47.4 p-80 -79.15 -9.97 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.548 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 8.3 mm-40 -84.72 120.29 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.01 119.02 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -53.7 -41.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.4 t -64.15 -54.05 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.1 -42.58 73.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.41 -28.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -75.97 -33.34 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.0 -25.51 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -36.85 76.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -46.43 143.1 4.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.19 31.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.6 t -93.5 66.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.23 -45.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.33 136.74 13.16 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -81.17 54.01 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.2 m -51.22 145.42 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -147.0 169.5 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' HD22 ' A' ' 53' ' ' LEU . 30.0 m-85 -103.07 123.55 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.661 HG21 ' SG ' ' A' ' 56' ' ' CYS . 55.0 t -101.5 150.7 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 3.3 t80 -110.84 114.74 28.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.2 ptm180 -145.19 159.16 43.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.12 23.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.75 109.81 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -88.19 93.89 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.8 t -75.08 129.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -103.99 101.84 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.95 126.41 48.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.538 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 96.2 m-85 -99.06 142.75 30.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLY . 13.8 p -102.99 148.28 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.46 -49.57 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -43.36 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.49 -24.88 3.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.82 114.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.17 123.82 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.96 148.91 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -124.77 151.53 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 39' ' ' LEU . 6.8 m -139.63 136.83 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.79 119.71 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' CG2' HG23 ' A' ' 12' ' ' VAL . 34.8 m -145.97 174.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.62 175.69 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 66.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.01 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.33 157.63 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.777 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 p -120.61 -177.02 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -67.4 -9.96 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.6 tpt180 -86.41 -41.87 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -55.6 -59.67 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LEU . 52.9 t -50.08 -62.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.804 ' O ' HG22 ' A' ' 40' ' ' VAL . 50.0 t -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.597 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -59.69 -44.22 93.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 83.9 mtp -61.61 -30.75 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 73.2 mt -82.14 -64.84 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 36' ' ' CYS . 18.7 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 9.9 m95 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.34 -169.81 29.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 87' ' ' PHE . 7.6 mt -109.86 153.58 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.0 t -141.18 114.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.9 pt-20 -72.75 117.83 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.64 143.19 31.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.5 m-70 -112.96 94.93 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 56.77 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.671 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.0 p-80 -167.87 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.87 -1.26 29.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.15 47.19 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -112.7 162.06 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.747 ' H ' HD13 ' A' ' 62' ' ' LEU . 11.5 mp0 -145.79 107.6 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.6 ttp85 -116.73 138.01 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.94 131.95 10.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.39 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.5 mt-10 -69.49 -173.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.83 -53.08 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -49.25 -32.57 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.49 127.04 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -77.76 107.08 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.055 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -44.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.6 t -62.06 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -46.92 -25.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 71' ' ' SER . 96.8 t -86.75 -41.77 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.02 -5.53 51.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -97.49 -23.94 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -27.53 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 38.7 m0 -43.63 146.71 0.92 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.37 31.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.9 p -83.46 107.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.76 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.89 103.62 1.17 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.69 59.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -60.95 152.37 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HD2' ' CD1' ' A' ' 15' ' ' TYR . 8.7 ptt180 -136.38 176.16 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 53' ' ' LEU . 40.5 m-85 -110.05 113.31 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.8 129.79 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 2.6 t80 -91.61 115.28 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -144.7 160.64 40.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.09 15.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.29 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.13 93.63 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.24 130.48 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -105.04 105.02 14.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.26 133.18 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 52.1 m-85 -102.19 146.48 27.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -104.64 145.14 30.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.47 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.58 -46.05 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 137.94 -27.56 2.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 126.79 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.24 129.24 46.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.827 ' HE ' HD22 ' A' ' 39' ' ' LEU . 5.4 ptm85 -137.61 146.19 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -130.38 160.51 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.7 m -137.48 151.0 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.75 113.2 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.4 176.95 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -142.85 154.61 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 161.39 -51.92 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.01 155.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -120.49 178.15 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -21.32 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -76.27 -44.38 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -51.29 -57.97 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.65 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG12 ' CD1' ' A' ' 39' ' ' LEU . 72.3 t -55.57 -52.86 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.912 ' O ' HG22 ' A' ' 40' ' ' VAL . 52.5 m -47.46 -40.6 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.598 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 8.7 mm-40 -75.76 -43.49 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 84.0 mtp -63.65 -23.36 67.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.827 HD22 ' HE ' ' A' ' 22' ' ' ARG . 70.8 mt -87.65 -60.47 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 36' ' ' CYS . 13.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.598 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 12.3 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.2 -178.1 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.4 mt -105.77 151.61 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 90' ' ' ARG . 73.8 t -136.72 113.45 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 4.5 pt-20 -73.28 133.45 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.59 142.3 46.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.4 m-70 -114.76 94.06 35.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.74 4.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.789 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.0 p-80 -168.38 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.06 -3.45 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.81 49.93 19.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.69 159.14 20.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -144.86 107.54 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -119.43 143.34 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -107.1 138.7 14.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.38 150.04 37.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -173.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -73.39 -54.28 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -48.04 -34.09 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 126.08 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.91 125.8 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 2.0 m -58.53 -38.39 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.58 -62.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.58 -37.19 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 71' ' ' SER . 90.8 t -80.32 -34.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -69.52 -34.29 74.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.77 62.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.23 77.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.9 m0 -50.19 150.94 3.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.1 p -97.61 117.87 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.77 -63.18 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 165.18 22.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -95.66 41.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 18.5 p -39.73 152.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -166.98 174.34 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -107.04 163.83 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' VAL . 70.0 t -137.71 152.15 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 3.2 t80 -116.46 114.69 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.596 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.1 ptm180 -149.6 160.5 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.598 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.75 6.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 41.1 m-70 -110.95 123.81 50.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.4 m -87.82 40.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.0 t -29.91 121.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.78 110.77 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 39' ' ' LEU . 10.2 t -102.38 94.15 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 57.5 m-85 -66.61 146.83 54.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 25.6 p -116.52 144.99 43.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.09 -41.78 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -45.26 81.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 121.49 -13.23 9.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.87 -59.7 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 47.5 t 68.31 129.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -121.56 165.3 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -132.05 135.17 46.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.461 HG21 HG13 ' A' ' 35' ' ' VAL . 3.1 m -125.64 132.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -85.16 104.25 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 156.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -79.74 1.72 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 89.23 -38.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -23.08 53.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.35 175.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -127.26 -169.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -67.59 -31.71 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.55 -47.72 71.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.39 -62.25 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG13 HG21 ' A' ' 24' ' ' VAL . 68.8 t -47.95 -48.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.2 t -53.42 -56.12 19.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.14 -45.76 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.6 mtp -61.61 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.4 mt -56.3 -52.55 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 36' ' ' CYS . 59.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 71.0 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.46 37.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.5 mt -100.28 150.82 22.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.6 t -136.65 114.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' OE1' HD22 ' A' ' 66' ' ' LEU . 2.4 pt-20 -77.63 126.75 31.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.47 145.15 36.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 48.1 m-70 -116.11 93.17 37.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.35 3.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.719 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.8 p-80 -166.07 -42.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.38 -2.66 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.81 49.97 16.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.12 159.74 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -145.15 107.48 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NE ' ' OE2' ' A' ' 55' ' ' GLU . 17.3 ttp180 -116.82 147.68 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.7 130.92 9.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD22 ' OE1' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -106.85 155.0 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.25 173.1 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -65.22 -59.59 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 28.4 p-80 -40.91 -44.38 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 6.2 mm-40 -49.95 127.88 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -79.38 116.59 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -43.72 -44.81 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.62 HG21 ' HA ' ' A' ' 28' ' ' ALA . 17.4 t -65.28 -63.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -46.9 -24.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 71' ' ' SER . 86.7 t -88.2 -44.65 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.97 -4.77 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -90.3 -23.43 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.78 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.8 m0 -45.97 137.99 5.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.3 Cg_endo -75.01 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.44 146.06 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -53.78 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 121.62 25.96 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.04 51.87 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 16.4 m -49.03 160.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -164.02 170.77 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -104.47 152.09 22.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' VAL . 59.2 t -135.99 128.48 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.9 t80 -91.37 118.33 30.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -151.0 141.86 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 1.2 ptpt . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -112.77 116.83 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.7 m -90.17 35.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' VAL . 12.9 t -31.91 131.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -100.7 128.79 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.6 t -119.45 103.87 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 84.5 m-85 -80.35 144.18 32.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.05 150.01 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.66 -45.61 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -44.1 76.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.75 -27.46 3.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.99 116.75 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.774 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.48 146.4 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 22' ' ' ARG . 2.7 ptm85 -147.75 147.55 30.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 9.6 p -115.69 147.84 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -131.95 128.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.33 111.63 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.69 148.13 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -92.75 172.56 8.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.94 64.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -159.38 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 159.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 p -127.07 -173.13 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -68.03 -9.71 47.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.59 20.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -67.27 -57.6 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.3 t -48.26 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.907 ' O ' HG22 ' A' ' 40' ' ' VAL . 46.5 t -42.18 -39.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 5.3 mm-40 -78.15 -43.35 29.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmm -63.01 -21.72 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 14' ' ' VAL . 56.0 mt -89.91 -62.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 36' ' ' CYS . 12.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 54.9 m95 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.49 -153.0 9.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.8 mt -128.92 151.56 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 50.9 t -138.65 116.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.77 125.75 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.48 144.08 36.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.6 m-70 -113.88 93.35 28.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.747 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -167.63 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.747 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.34 -4.92 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.2 51.26 12.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.29 158.96 25.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -144.95 107.8 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -116.72 137.05 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.82 132.69 11.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.29 154.59 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.306 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.0 mt-10 -68.67 -170.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -49.74 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -57.82 -25.35 60.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.86 134.57 51.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -82.67 108.86 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -45.27 -44.16 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.6 t -62.37 -41.16 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.1 mt-10 -69.95 -29.3 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 66' ' ' LEU . 89.8 t -84.73 -28.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.6 pt20 -89.11 -20.79 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.22 -32.23 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.02 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -43.02 137.71 2.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 108.04 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.37 20.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.08 -38.45 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.75 59.68 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.24 120.94 0.78 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.26 53.63 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 71.6 m -55.37 147.28 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.71 -179.26 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.74 149.24 38.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -132.02 131.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 7.8 t80 -92.33 116.3 28.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -151.96 149.79 29.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.01 9.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -91.37 114.79 27.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.5 m -89.62 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 11' ' ' VAL . 18.6 t -29.79 125.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 3.1 mtpp -99.91 115.72 30.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 35' ' ' VAL . 34.3 t -107.95 98.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 59.0 m-85 -67.42 151.2 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -114.41 149.57 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.86 -44.13 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -54.69 -40.61 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 131.86 -32.21 2.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 118.77 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 21' ' ' CYS . 30.1 p -99.3 110.01 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.8 mmt180 -104.25 157.28 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.3 p -132.09 137.57 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.37 131.39 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -81.57 104.51 12.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 30' ' ' ALA . 5.9 m -130.05 155.65 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -90.28 171.68 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 65.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -164.71 -41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . . . -46.61 153.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.0 p -124.38 161.75 25.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 53' ' ' LEU . . . -38.69 -39.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 3.4 tmm_? -51.32 -69.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ARG . 27.7 m80 -38.47 -57.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 14' ' ' VAL . 59.4 t -44.16 -49.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' ARG . 46.1 t -54.21 -55.62 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.81 -53.47 48.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtm -56.27 -58.57 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 14' ' ' VAL . 94.1 mt -52.7 -59.72 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 45.7 m95 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.66 -141.84 4.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.152 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 32' ' ' ALA . 7.4 mt -139.38 154.29 47.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' VAL . 89.2 t -141.57 113.44 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.05 125.45 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.1 144.51 32.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 46.4 m-70 -115.43 92.97 34.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.76 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.4 p-80 -166.58 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.94 -2.95 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.57 52.34 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.9 160.76 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -145.12 107.54 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 1.6 ttp180 -115.2 139.8 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.73 145.82 15.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 155.22 43.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.6 mm-40 -72.19 -171.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.514 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -84.65 -41.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -64.44 -18.03 64.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -80.12 112.17 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' CA ' ' A' ' 32' ' ' ALA . 1.6 m -53.59 -41.47 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 19.4 t -63.97 -63.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.32 -23.09 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 71' ' ' SER . 67.8 t -88.35 -31.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.8 pt20 -88.95 -6.47 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.93 -23.05 29.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.74 -28.01 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 46.6 m0 -43.72 139.86 2.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.48 133.84 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.41 -63.86 0.35 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.12 145.42 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.36 43.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 2.1 m -45.75 144.79 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.12 -178.35 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -115.27 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -125.45 149.55 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.453 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 12.7 t80 -112.31 114.84 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -152.34 152.43 32.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.63 99.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -141.08 120.53 13.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.36 76.76 0.16 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.51 128.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.84 116.03 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.57 -83.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -67.1 156.05 88.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.8 24.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -110.44 107.63 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.37 94.23 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.99 127.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -101.94 100.98 11.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 35' ' ' VAL . 11.9 t -98.19 126.1 51.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 88.9 m-85 -98.12 144.1 27.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.3 t -106.39 150.67 25.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.18 -52.69 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -45.04 -45.09 10.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 133.93 -34.25 2.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 125.63 20.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.733 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 26.9 t -97.54 128.09 44.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.358 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -118.85 116.15 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.4 p -92.43 158.69 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.86 136.6 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.39 105.13 12.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.37 176.76 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -140.52 159.56 41.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.71 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.36 -51.42 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.2 128.97 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.5 p -92.11 -178.2 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.668 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -65.78 -13.67 59.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -89.25 -35.69 16.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -58.35 -36.43 73.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 14' ' ' VAL . 55.0 t -70.2 -46.4 72.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 t -54.98 -46.31 75.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.67 -58.15 9.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmm -52.08 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 35' ' ' VAL . 95.5 mt -47.73 -64.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -40.56 -62.49 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -178.0 162.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -58.23 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -66.03 139.52 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.96 -76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . 51.51 93.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.59 -60.27 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.77 -51.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.27 177.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -58.56 172.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -64.39 -55.92 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 28.0 m95 63.64 -173.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.68 -169.72 42.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -118.67 150.12 40.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 93' ' ' PHE . 72.2 t -136.9 115.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.7 pt-20 -74.23 129.07 37.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -111.13 144.02 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.262 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.1 m-70 -113.66 93.92 30.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.45 3.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.7 p-80 -166.23 -42.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -101.32 -3.64 28.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.78 46.63 22.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -113.86 161.22 17.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.81 109.85 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 3.7 ttp180 -116.43 138.68 51.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.12 138.57 14.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -115.36 156.09 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.58 -171.69 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -77.49 -52.95 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -51.06 -28.21 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.577 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.6 136.82 56.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.2 m -94.82 115.82 27.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.1 m -51.88 -40.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 60.5 t -65.87 -60.62 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -50.27 -39.35 44.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 84.7 t -78.06 -30.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.3 tt0 -74.22 -33.16 63.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -73.62 -18.21 61.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.98 60.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 49.9 m0 -47.15 139.45 7.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.98 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.4 p -72.98 -45.89 53.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -76.48 59.52 3.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.11 107.16 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.02 61.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 21.7 m -57.65 154.43 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -152.31 171.68 17.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -107.26 150.14 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' VAL . 99.6 t -130.92 143.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 5.8 t80 -104.19 116.38 32.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.2 ptm180 -150.16 146.58 26.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -102.84 -16.27 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -122.17 106.34 11.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' CD2' HG21 ' A' ' 54' ' ' VAL . 40.7 t80 179.78 92.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -175.44 -170.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.8 t -127.44 107.88 10.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.94 130.81 7.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.77 39.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.2 p -142.96 -58.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m 56.67 107.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -59.26 2.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -84.65 92.36 8.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.27 150.38 9.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.92 81.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.052 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.76 146.49 31.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.59 140.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.59 76.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.03 19.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' O ' HG22 ' A' ' 26' ' ' VAL . 92.2 m-70 -103.12 110.89 23.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.01 92.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.41 131.96 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -105.5 103.87 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 HG11 ' A' ' 35' ' ' VAL . 20.1 t -97.38 135.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 89.3 m-85 -112.93 144.61 42.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -106.01 147.28 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.77 -51.55 9.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -49.64 -44.96 47.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.93 -27.06 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 114.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.05 155.26 18.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -166.99 137.61 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.2 m -118.99 159.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 13.7 m -136.14 146.23 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.0 108.8 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 35.6 m -126.13 172.61 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.79 155.9 48.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.11 98.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.35 -51.83 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.1 146.81 8.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -114.71 -175.38 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -62.97 -14.34 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -85.7 -44.41 12.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -50.21 -50.42 49.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.6 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 76.8 t -55.09 -54.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -46.78 -56.0 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.19 -52.17 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.511 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 36.5 mtp -55.91 -56.07 25.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 80.1 mt -56.82 -55.97 27.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 t -47.68 -57.13 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.4 157.24 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.74 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.76 -62.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -64.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.615 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 61.95 87.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.29 67.51 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 168.1 9.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -137.32 -50.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 51' ' ' TRP . 3.6 mm-40 -45.22 163.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.9 m -70.98 -51.49 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 91' ' ' LYS . 69.8 m95 63.78 168.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 107.981 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.31 -175.69 46.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.5 mt -108.01 148.27 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' CD2' ' A' ' 93' ' ' PHE . 86.4 t -136.55 114.08 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.7 pt-20 -72.34 127.59 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.6 m-70 -113.38 94.51 31.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.08 4.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.44 1.758 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.698 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.9 p-80 -167.39 -41.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -103.14 -4.03 25.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.67 50.85 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.26 162.19 17.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -144.01 107.68 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.9 tpp180 -115.84 142.28 46.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -108.22 139.92 15.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.14 152.08 35.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -73.75 -171.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -79.47 -52.77 7.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -52.36 -26.74 13.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.06 129.27 41.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -50.76 -41.82 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.9 t -64.5 -55.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.59 -40.91 69.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.22 -27.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -77.71 -32.36 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.51 -29.09 59.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.38 90.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 52.2 m0 -47.28 146.62 3.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.32 29.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.3 t -62.42 -54.15 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.61 51.29 4.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.35 80.94 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' SER . 1.2 m-20 -40.38 -55.17 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 0.798 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 36.3 m 54.6 167.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.958 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -171.53 168.47 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.3 m-85 -102.76 138.87 39.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.436 HG21 ' SG ' ' A' ' 56' ' ' CYS . 99.5 t -120.93 134.87 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -94.41 117.48 30.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -151.72 140.62 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -94.95 176.69 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 40.33 30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' O ' ' CD2' ' A' ' 93' ' ' PHE . 6.8 p90 -90.06 35.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -124.57 -59.77 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.1 t -112.78 129.58 56.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.03 -84.59 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.51 43.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 m -125.18 167.48 14.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.1 t -144.33 -57.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.92 -58.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -74.33 141.32 45.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.14 103.54 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -178.05 103.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -165.83 -46.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.68 107.6 0.65 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.22 155.24 0.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -110.13 111.93 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.92 94.1 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -78.1 130.81 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -97.36 103.11 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG11 ' CD1' ' A' ' 39' ' ' LEU . 13.0 t -101.8 113.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 90.5 m-85 -89.74 139.68 30.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.5 t -102.66 151.47 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.62 -56.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -44.26 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 132.67 -31.63 2.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.98 120.48 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -86.03 126.72 34.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 108.325 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -115.28 98.22 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 m -78.99 149.66 32.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -132.44 135.67 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.1 112.87 20.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.98 179.85 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -129.5 168.06 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 175.05 -38.36 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.57 145.96 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.2 p -113.58 -178.55 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.34 -13.84 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -82.08 -46.05 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.11 -47.32 71.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.583 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.0 t -60.15 -53.71 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -47.18 -49.35 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.0 -56.45 21.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.0 mmm -51.86 -56.96 10.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 35' ' ' VAL . 93.1 mt -50.45 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 t -42.7 -62.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -40.33 111.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.52 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.71 174.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -40.37 124.97 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.03 -53.16 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt 63.1 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.84 139.58 55.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -152.62 -51.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -107.44 -173.28 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -115.83 156.05 26.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.424 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 30.7 m95 -143.13 174.47 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.07 -179.09 44.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 66' ' ' LEU . 7.0 mt -101.22 156.05 17.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' HB2' ' A' ' 93' ' ' PHE . 48.2 t -140.11 113.98 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 3.8 pt-20 -78.18 122.05 25.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.69 142.67 31.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.72 93.82 30.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.4 3.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.695 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.4 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -5.34 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.88 52.32 9.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.62 158.97 27.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -144.96 111.16 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -115.99 146.28 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 93' ' ' PHE . . . -109.15 88.89 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.5 pt? -57.12 155.33 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -167.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -49.07 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -59.87 -20.77 59.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -62.84 134.97 57.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -86.59 123.94 32.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' GLN . 2.3 m -58.78 -36.82 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.75 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.1 -36.76 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 71' ' ' SER . 62.9 t -80.77 -35.65 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -67.93 -38.47 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.79 71.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.21 97.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 85' ' ' SER . 53.1 m0 -46.57 145.9 2.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.5 Cg_endo -74.99 163.88 34.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -71.18 -54.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.51 70.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.06 124.41 6.74 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.49 56.21 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.558 ' HB3' ' CE3' ' A' ' 79' ' ' TRP . 29.8 t -55.48 155.88 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -151.98 173.75 14.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -108.55 137.23 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.3 t80 -91.48 114.6 27.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.4 ptm85 -147.28 137.89 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 3.8 ptpt -85.72 -27.49 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -116.94 83.71 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CE2' ' HA3' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -107.85 137.93 45.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 46.29 77.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.14 163.55 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.76 -139.35 9.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.35 9.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m 44.68 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -58.39 159.37 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -89.13 -57.37 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.86 162.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 75.87 2.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -167.77 119.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m 41.21 91.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.92 -86.66 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.85 156.93 0.24 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -97.27 112.47 24.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.5 t -90.59 91.92 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 49.7 t -76.11 127.19 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -102.65 98.61 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 39' ' ' LEU . 16.5 t -90.82 123.9 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.549 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 95.1 m-85 -99.03 139.73 34.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 p -98.21 145.47 26.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -42.83 -48.07 5.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.251 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.92 -46.64 60.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.13 -28.45 2.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.12 122.08 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.38 141.5 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.264 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -140.23 147.03 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 10.8 p -126.29 149.41 49.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 12.6 m -134.93 141.99 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.63 109.79 19.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 30.4 m -133.93 163.34 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -131.67 158.98 39.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 96.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 160.92 -52.37 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -48.43 147.14 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -112.93 178.13 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 66' ' ' LEU . . . -57.13 -26.1 59.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -74.57 -44.63 50.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -48.98 -52.13 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG12 ' CD1' ' A' ' 39' ' ' LEU . 51.2 t -59.23 -51.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 41.4 t -48.42 -51.24 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.29 -52.95 63.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.23 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 mtp -53.86 -57.45 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.488 ' CD1' HG12 ' A' ' 35' ' ' VAL . 39.0 mt -53.38 -59.57 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' CYS . 38.7 t -40.03 -59.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 16.6 mt-30 -165.38 169.12 16.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.67 52.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.93 -59.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.44 -65.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 56.96 -172.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp 61.71 62.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -176.37 175.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 52.7 175.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.4 tp10 -42.42 149.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 17.7 m -66.86 -37.12 83.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.76 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 21.4 m95 65.6 -178.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . . . -175.18 -167.07 33.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.2 mt -117.92 150.8 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HD3' ' A' ' 90' ' ' ARG . 60.1 t -142.83 113.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 6.0 pt-20 -74.16 121.74 21.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.09 141.81 34.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 39.8 m-70 -113.28 93.98 28.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 54.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 57' ' ' HIS . 3.4 p-80 -166.21 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 109.636 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.16 -1.59 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.28 46.63 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 160.26 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -142.72 107.26 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 21.9 ttm180 -117.01 139.63 50.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.03 138.13 14.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -113.24 152.76 29.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.6 mt-10 -75.56 -174.97 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -73.36 -54.01 9.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.64 -34.68 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 70' ' ' GLU . 5.4 mm-40 -55.59 125.93 23.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -83.77 131.16 34.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG13 ' HA ' ' A' ' 32' ' ' ALA . 2.4 m -63.05 -38.35 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.12 -57.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 71' ' ' SER . 93.1 t -81.38 -31.61 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.99 -35.01 66.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.41 -27.04 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.6 m0 -47.82 140.87 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 166.97 28.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.97 -55.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.68 60.03 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.41 113.85 0.45 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.74 55.95 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 13.0 m -64.4 138.16 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 7.7 ptt180 -129.48 -175.63 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -117.79 111.88 19.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.21 134.63 39.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 9.7 t80 -97.1 121.06 38.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HD3' HG11 ' A' ' 54' ' ' VAL . 8.7 ptm180 -149.11 146.09 27.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -100.64 175.83 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' LYS . 17.7 m-20 38.76 30.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 1.6 p90 -78.3 163.3 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 72.86 -77.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.24 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.7 150.9 10.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 t -153.75 116.37 4.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.91 130.67 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 58.58 92.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.944 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -153.12 144.99 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.78 -102.03 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -55.09 38.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.9 92.76 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.06 -101.96 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -58.25 150.57 52.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -105.77 107.96 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t -88.49 93.68 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t -83.22 126.87 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -102.46 98.78 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 t -88.06 111.23 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 97.2 m-85 -83.25 138.43 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -101.21 158.44 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.94 44.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 40.22 50.01 3.64 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -116.22 54.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -57.56 143.12 42.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -146.81 116.01 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -80.7 154.48 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 38' ' ' MET . 3.7 m -142.55 142.29 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.74 106.38 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 170.66 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -137.0 154.66 50.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.59 97.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.95 -53.0 0.38 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.53 156.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 p -123.64 179.94 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -58.65 -19.12 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.1 tpt180 -79.35 -49.08 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.77 -54.86 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.22 -55.89 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 32.3 t -45.92 -55.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 108.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.78 -52.02 63.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 24' ' ' VAL . 19.0 mtp -56.28 -60.2 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -52.81 -52.57 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' CYS . 11.1 t -41.31 -49.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 8.8 pt20 -173.22 -46.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER 168.35 -68.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.15 19.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 53.74 101.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.91 174.43 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 47' ' ' SER . 2.2 tm? -86.0 140.38 30.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.666 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -66.86 77.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -175.42 146.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.8 105.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.3 p -85.97 149.08 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.669 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 26.7 m95 -138.84 170.97 15.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.54 -176.65 46.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.4 mt -106.24 151.5 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG21 ' HD3' ' A' ' 90' ' ' ARG . 54.5 t -138.15 116.89 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -76.36 116.11 16.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 144.28 27.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 38.1 m-70 -112.7 94.79 30.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.27 4.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.5 p-80 -167.18 -42.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.89 -1.87 28.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.29 49.42 18.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.73 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.12 161.5 19.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.73 ' H ' HD13 ' A' ' 62' ' ' LEU . 3.4 mp0 -145.14 106.16 4.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -112.86 139.84 48.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -104.19 141.52 15.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.83 152.48 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -176.7 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -73.75 -55.48 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -51.94 128.19 23.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -87.0 122.7 31.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 1.7 m -56.27 -38.69 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.22 -62.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.58 -39.17 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' SER . 97.6 t -78.32 -30.61 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 1.5 tt0 -73.75 -34.67 64.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.92 62.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 45.0 m0 -44.84 142.06 2.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.36 35.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.4 p -84.08 119.53 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.01 -46.56 1.07 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.506 1.128 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.22 111.61 3.37 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -76.17 57.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 34.8 m -58.96 142.94 49.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 8.5 ptt180 -132.27 172.28 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB3' HD22 ' A' ' 53' ' ' LEU . 34.1 m-85 -108.59 113.69 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.0 t -100.0 130.61 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.669 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.2 t80 -91.47 118.88 30.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' HD3' HG21 ' A' ' 54' ' ' VAL . 3.7 ptm180 -146.94 146.17 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -98.93 -21.48 16.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -122.8 95.29 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -146.78 -52.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -169.46 -50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m -84.53 80.08 9.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.1 -89.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.81 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 t 60.14 117.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.74 91.51 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.12 164.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 m 62.82 124.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.17 -92.17 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.86 109.37 1.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -137.04 154.81 50.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.9 -112.39 0.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.44 152.63 55.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.55 24.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -104.07 107.14 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.4 t -85.06 92.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.7 t -70.78 133.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -107.56 98.66 8.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.564 HG21 HG11 ' A' ' 35' ' ' VAL . 4.6 t -97.3 117.63 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.424 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 72.4 m-85 -94.17 146.46 23.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.2 p -108.39 146.19 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.57 -51.65 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -45.26 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.22 -29.56 2.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.44 103.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.47 121.42 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 108.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -107.86 161.83 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -132.01 146.59 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.957 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.33 140.0 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.83 116.29 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' VAL . 27.8 m -139.91 161.19 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.53 152.42 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 97.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 159.62 -47.31 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.15 151.47 3.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 p -118.86 -175.83 2.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -66.92 -10.48 49.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -37.38 19.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -62.77 -56.09 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 14' ' ' VAL . 47.8 t -51.57 -60.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.922 ' O ' HG13 ' A' ' 40' ' ' VAL . 47.1 t -43.33 -49.24 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 40' ' ' VAL . 3.0 mm-40 -63.57 -36.9 85.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.8 mtp -73.48 -25.19 60.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 35' ' ' VAL . 44.4 mt -89.9 -56.18 3.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 36' ' ' CYS . 33.4 m -38.08 -52.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.845 ' HG2' ' HB2' ' A' ' 45' ' ' ALA . 7.9 mt-30 -44.24 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 41' ' ' GLN . 3.6 tmm_? 84.83 -47.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.8 -55.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.58 85.8 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.628 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . . . -44.61 133.05 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.34 61.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -131.89 173.55 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.14 21.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -117.16 130.5 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.27 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 86.9 m -75.5 156.86 34.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.536 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . 25.8 m95 -148.11 172.67 13.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.58 -172.96 23.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 6.2 mt -113.75 149.81 34.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 88' ' ' VAL . 52.3 t -139.01 118.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.71 130.74 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.548 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.2 m -109.92 143.5 39.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 108.301 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -114.06 92.65 27.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.58 3.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.73 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.6 p-80 -166.23 -42.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.93 -3.67 27.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.83 51.69 13.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.55 162.93 17.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.85 107.68 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 -118.33 141.4 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.32 130.13 10.0 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -103.33 160.3 14.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.96 -177.82 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -49.79 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -60.42 -26.23 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -50.96 131.27 26.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -77.16 108.53 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -42.37 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.0 t -64.27 -64.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -48.02 -24.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 71' ' ' SER . 59.0 t -88.1 -43.15 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.7 pt20 -75.84 -7.52 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -86.75 -33.98 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.33 73.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -44.76 140.79 3.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 172.99 15.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.44 137.93 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.57 -44.44 2.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -39.7 -39.66 1.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 59.6 40.77 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 20.3 m -60.15 153.27 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.44 -175.81 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 53' ' ' LEU . 38.1 m-85 -115.94 141.03 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG21 ' SG ' ' A' ' 56' ' ' CYS . 89.2 t -123.62 130.37 74.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 51' ' ' TRP . 7.9 t80 -91.4 117.5 29.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' NE ' ' HB2' ' A' ' 93' ' ' PHE . 8.2 ptm180 -151.81 145.13 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -93.81 -38.75 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -113.76 98.55 7.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -123.27 165.0 17.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.58 141.28 20.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.56 96.69 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.68 157.0 27.82 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.12 159.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 t -117.43 91.97 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.31 116.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -137.86 83.75 2.0 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.95 163.67 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.1 83.69 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.53 112.68 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.05 -95.18 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.16 157.19 76.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.24 7.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -111.83 107.58 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -83.97 91.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 24' ' ' VAL . 38.5 t -77.49 127.96 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -98.77 98.53 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.4 t -97.22 130.26 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 91.5 m-85 -102.75 140.47 36.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 p -91.65 146.8 23.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 3.1 mt-10 -44.84 -39.67 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.16 -45.75 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.36 -25.2 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 113.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.86 124.39 32.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.41 164.54 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 159.57 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -147.39 140.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -95.43 104.88 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 m -128.97 166.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -124.91 153.03 43.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.54 98.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 157.55 -51.12 0.42 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.41 139.91 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -107.91 179.05 4.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -58.61 -16.69 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tpt180 -81.6 -35.66 29.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -63.76 -46.92 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG11 HG21 ' A' ' 14' ' ' VAL . 78.9 t -59.17 -46.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.17 -53.35 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.47 -55.37 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -61.17 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 14' ' ' VAL . 72.4 mt -45.51 -55.62 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 t -47.42 -53.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.65 -74.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.77 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.63 60.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -132.66 173.19 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 65.85 128.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -179.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.8 m -44.44 107.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.44 -45.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 6.5 pt-20 -137.11 110.69 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 t -84.71 -45.52 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 12.0 m95 55.08 175.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.67 -175.97 34.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.3 mt -112.03 151.41 29.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.61 HG11 HH11 ' A' ' 90' ' ' ARG . 90.2 t -131.25 124.57 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -89.49 113.13 24.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.24 144.8 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -114.92 90.85 24.17 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -74.99 55.08 3.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.768 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.5 p-80 -166.08 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -100.63 -3.07 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.12 46.42 19.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.07 157.19 28.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.55 106.77 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -117.51 150.38 39.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.77 136.37 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.67 157.12 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.1 mt-10 -73.95 -171.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.28 -52.97 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -50.75 -24.4 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -61.96 132.3 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -82.92 115.09 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLN . 1.3 m -53.04 -39.25 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.62 -61.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.78 -38.76 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 71' ' ' SER . 87.0 t -77.84 -32.72 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -72.97 -33.37 65.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.248 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.8 -33.16 58.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.6 65.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 43.6 m0 -58.61 147.9 68.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 162.75 36.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 82' ' ' GLY . 14.8 p -62.5 -47.07 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 81' ' ' VAL . . . -87.83 40.23 3.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ASP . . . -151.87 73.92 0.26 Allowed Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' GLY . 0.5 OUTLIER -39.44 -57.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 19.4 m 58.44 155.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD2' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -145.31 172.54 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 7.2 m-85 -113.31 120.37 40.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG23 ' HD2' ' A' ' 86' ' ' ARG . 2.5 t -101.62 153.48 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 3.3 t80 -112.17 113.25 25.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.61 HH11 HG11 ' A' ' 54' ' ' VAL . 1.3 mtp180 -135.33 153.29 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -108.9 -26.25 10.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -150.78 74.06 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' ARG . 47.7 p90 -105.31 128.5 53.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.27 176.53 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 m -100.99 -55.25 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.2 172.74 27.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.37 141.7 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -157.13 128.28 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.9 115.41 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -77.85 159.21 29.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.29 177.46 47.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.64 138.0 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -124.09 91.25 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.81 -131.89 10.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -115.43 160.12 35.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.32 10.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -115.34 107.25 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -84.59 91.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 14' ' ' VAL . 94.3 t -75.28 140.91 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -117.78 99.34 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.747 HG22 ' CB ' ' A' ' 87' ' ' PHE . 76.0 t -105.22 133.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 55.1 m-85 -100.51 141.66 33.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' GLY . 65.7 p -88.86 139.48 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CG ' ' NE ' ' A' ' 90' ' ' ARG . 5.2 mt-10 -44.09 -39.0 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.82 -42.48 90.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 139.77 -27.72 2.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' N ' ' OG ' ' A' ' 16' ' ' SER . . . -63.13 102.88 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.45 162.21 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 108.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.678 ' NE ' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -149.37 174.03 12.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 30.2 m -134.56 144.06 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.55 146.59 29.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.39 106.86 19.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG1' ' CE ' ' A' ' 38' ' ' MET . 29.3 m -128.37 156.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.64 176.87 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 85.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.15 -52.52 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.25 136.93 35.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -105.23 -173.69 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.54 -19.04 55.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -82.24 -48.1 11.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -45.76 -48.59 15.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.562 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' MET . 79.2 t -64.42 -58.32 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 t -42.78 -30.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.315 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' VAL . 3.2 mm-40 -81.67 -44.24 17.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.594 ' CE ' ' CG1' ' A' ' 26' ' ' VAL . 27.4 mtp -59.39 -50.95 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' NE ' ' A' ' 22' ' ' ARG . 14.2 mt -57.31 -58.62 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.833 HG12 ' HG2' ' A' ' 41' ' ' GLN . 5.2 t -39.85 -41.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.833 ' HG2' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER 175.43 -48.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -179.38 -75.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.15 174.16 11.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.07 146.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -177.43 161.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -106.22 -63.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.07 138.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -169.56 -55.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -171.21 131.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.1 p -77.01 141.72 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.64 ' CE3' ' CE2' ' A' ' 89' ' ' PHE . 19.5 m95 -136.6 158.34 44.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.18 -159.85 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.1 mt -121.57 152.52 39.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 0.761 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 23.7 t -140.59 113.35 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 4.0 pt-20 -78.75 117.92 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.56 145.12 30.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 42.2 m-70 -112.8 94.5 29.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.656 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.2 p-80 -167.08 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.652 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.01 -2.22 30.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.74 47.99 21.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.755 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -114.78 161.81 17.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.755 ' H ' HD13 ' A' ' 62' ' ' LEU . 12.4 mp0 -144.93 109.82 5.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -120.41 144.3 48.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.34 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -112.6 137.63 14.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -111.82 153.79 26.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -77.55 -176.17 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -70.35 -55.01 10.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -45.6 -41.1 9.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -49.55 126.44 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -86.08 119.66 26.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -51.31 -40.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.95 -63.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.71 -36.87 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 71' ' ' SER . 59.8 t -80.07 -34.34 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -71.06 -32.17 68.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.66 55.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.66 74.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 37.6 m0 -45.42 142.65 3.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.9 30.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.0 125.0 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 129.25 -69.5 0.53 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.19 126.35 36.0 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -76.72 57.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 22.6 m -51.05 142.56 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -142.41 165.38 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.747 ' CB ' HG22 ' A' ' 14' ' ' VAL . 17.7 m-85 -101.17 164.44 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.469 HG11 ' HE ' ' A' ' 90' ' ' ARG . 24.5 t -143.15 143.15 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.64 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.0 t80 -102.78 113.92 27.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' HE ' HG11 ' A' ' 88' ' ' VAL . 78.9 mtt180 -134.29 164.91 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TRP . 1.2 ptpp? -110.72 -41.38 4.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -140.4 66.24 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . 34.9 p90 -78.7 135.61 37.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 42.53 88.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.18 165.26 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.11 -145.47 30.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -179.83 99.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t 60.35 163.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.04 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -166.52 -57.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 54.11 99.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.2 163.04 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.1 111.04 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.733 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -65.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.65 -155.44 19.59 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.71 134.48 23.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.24 14.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -104.68 108.06 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -89.7 97.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.63 124.81 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -90.58 114.79 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG21 HG11 ' A' ' 35' ' ' VAL . 38.1 t -113.01 105.62 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 21' ' ' CYS . 73.2 m-85 -84.32 159.55 20.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -116.6 153.51 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.964 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.57 -48.91 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -50.0 -45.66 51.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.68 -34.68 2.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.17 133.28 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 15' ' ' TYR . 30.3 p -94.23 130.95 40.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.258 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -134.23 112.2 10.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.8 p -104.82 156.96 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.503 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.6 m -133.34 145.43 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -83.27 114.42 21.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -138.54 169.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -134.61 160.08 39.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 158.6 -50.0 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.62 146.37 4.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 p -115.76 179.17 4.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.39 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.402 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.97 -42.55 17.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -55.02 -59.6 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.553 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG11 HG21 ' A' ' 14' ' ' VAL . 59.5 t -44.27 -61.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' O ' HG22 ' A' ' 40' ' ' VAL . 42.7 t -43.12 -62.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.4 mm-40 -51.69 -39.58 58.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.503 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 79.3 mtp -68.87 -33.73 74.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 35' ' ' VAL . 85.6 mt -80.02 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 41' ' ' GLN . 33.6 m -40.11 -54.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' N ' HG23 ' A' ' 40' ' ' VAL . 1.8 mt-30 -159.12 -93.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.43 -68.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.92 66.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.77 111.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.575 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.1 146.72 30.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -104.02 150.19 24.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.06 72.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.016 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -127.41 -45.01 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.59 123.18 28.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.458 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 25.4 p -83.4 145.49 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ2' ' HD3' ' A' ' 91' ' ' LYS . 29.9 m95 -145.64 168.06 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.39 6.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 53' ' ' LEU . 5.9 mt -130.61 149.89 52.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 88' ' ' VAL . 59.0 t -137.69 114.97 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.5 pt-20 -73.92 134.5 43.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -115.33 143.37 45.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.7 m-70 -113.94 93.13 28.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.632 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 55.04 3.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.771 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.714 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.3 p-80 -165.7 -42.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.714 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -101.64 -3.48 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.75 50.74 15.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.29 160.91 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.24 109.38 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.2 ttp180 -117.99 142.59 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.1 133.91 11.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD21 ' HE1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -110.81 155.27 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -62.92 -172.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.61 -51.46 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -57.5 -22.53 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.03 136.79 34.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 74' ' ' GLU . 1.5 m -86.41 107.5 18.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -46.29 -40.7 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ALA . 78.2 t -64.9 -61.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' A' ' 71' ' ' SER . 3.1 mt-10 -48.01 -38.49 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -78.68 -33.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -71.45 -29.98 65.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.9 -29.03 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.42 96.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -42.69 147.17 0.65 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.19 35.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 81' ' ' VAL . 94.3 t -94.53 69.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.0 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -91.35 132.3 11.21 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.96 58.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.764 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 58.8 m -52.78 153.13 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.14 167.89 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.425 ' HE1' HD21 ' A' ' 66' ' ' LEU . 22.1 m-85 -104.69 147.11 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' VAL . 90.0 t -129.07 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' CE3' ' A' ' 51' ' ' TRP . 5.4 t80 -104.06 117.62 34.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -149.33 153.77 37.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -109.33 152.72 24.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t30 41.96 49.96 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 93' ' ' PHE . 1.1 p90 -74.24 130.95 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -175.81 83.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 t 51.04 82.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.36 146.97 43.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.4 t -98.6 164.99 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -151.49 132.12 13.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.06 143.52 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -156.19 -58.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 -84.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t 59.85 107.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.17 -57.44 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.33 179.04 17.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -55.73 162.42 2.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.469 1.773 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -101.39 113.41 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.04 98.56 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.73 132.26 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -105.25 102.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -97.37 128.56 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.439 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 68.8 m-85 -100.69 147.64 25.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.44 148.51 28.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.94 -52.31 7.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -45.98 -41.75 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.93 -26.76 3.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 142.05 16.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.25 134.37 55.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.269 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -132.91 146.49 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 150.7 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 132.12 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 108.01 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.3 175.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -138.89 155.67 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.85 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 156.1 -47.61 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -43.07 137.96 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 p -103.41 176.28 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -60.29 -24.79 65.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.67 HH21 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -78.44 -44.14 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 38' ' ' MET . 14.2 m80 -47.92 -50.53 26.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' LEU . 41.7 t -57.78 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.906 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.0 t -43.62 -50.69 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 108.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -63.93 -43.05 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.421 ' CG ' ' O ' ' A' ' 34' ' ' HIS . 1.4 mmm -66.73 -19.64 65.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' VAL . 86.4 mt -91.86 -57.84 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 36' ' ' CYS . 10.1 m -50.24 -45.05 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 64.27 90.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.6 157.87 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.58 -62.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -95.37 84.13 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.75 72.38 1.27 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.67 HD11 HH21 ' A' ' 33' ' ' ARG . 0.2 OUTLIER -148.1 61.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.7 p 179.58 61.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.06 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.44 -42.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.69 153.0 42.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.0 p -117.64 -47.88 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 50.1 m95 62.04 176.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.91 -148.22 7.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 87' ' ' PHE . 6.4 mt -132.68 150.38 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.7 t -136.87 113.64 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 3.9 pt-20 -74.19 124.55 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.92 143.4 33.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.47 93.87 29.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.699 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.4 p-80 -167.15 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.32 -3.07 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.03 47.16 23.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.21 162.35 16.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -144.1 108.82 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 32.9 ttm-85 -116.44 142.24 47.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.19 135.18 12.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.94 150.73 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.0 mm-40 -74.49 -176.83 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -73.41 -55.91 5.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -44.8 -34.87 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.588 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -55.24 124.27 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -80.52 116.59 20.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -49.97 -42.16 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' ALA . 61.7 t -65.33 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.94 -38.1 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 71' ' ' SER . 99.3 t -78.68 -32.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -73.38 -31.64 64.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.52 -32.51 60.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.22 77.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.7 m0 -47.22 148.78 1.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.81 30.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.4 t -96.92 66.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.68 -47.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.518 ' HA3' ' CD2' ' A' ' 59' ' ' HIS . . . -94.87 129.38 9.88 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -74.66 59.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 45.1 m -55.76 143.57 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.051 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -141.99 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 53' ' ' LEU . 39.6 m-85 -105.18 149.98 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' VAL . 98.5 t -131.02 143.81 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 11.5 t80 -104.61 118.7 37.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.0 ptm180 -154.81 152.23 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -104.91 -15.96 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -124.81 112.78 17.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.5 t80 179.99 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -150.8 -48.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m 62.23 122.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.39 -121.3 0.59 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 65.4 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.52 168.18 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.4 t -73.96 114.74 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.24 91.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.966 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 152.86 30.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.91 -149.26 18.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.75 97.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.982 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.02 112.83 24.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.63 167.12 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.81 155.64 51.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.34 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -111.45 107.18 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.3 t -88.28 95.3 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -82.4 127.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.93 107.5 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 35' ' ' VAL . 25.4 t -104.12 133.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.577 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 77.7 m-85 -112.58 138.08 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -90.11 140.55 29.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.31 -42.46 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.92 -41.43 70.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 138.26 -27.56 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.32 124.18 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.51 147.03 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' NH2' ' OG ' ' A' ' 16' ' ' SER . 1.5 ptt180 -163.12 144.85 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 p -119.84 153.57 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.5 m -127.67 144.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.13 105.85 16.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.64 164.82 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -122.91 174.63 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.98 82.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.59 -51.04 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 144.26 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.4 p -107.97 -178.39 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -57.08 -33.09 66.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.3 tpt180 -68.82 -46.45 68.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -45.43 -60.01 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 14' ' ' VAL . 36.8 t -45.1 -63.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 40' ' ' VAL . 18.2 t -41.53 -67.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 108.304 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.623 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 4.5 mm-40 -47.24 -45.5 23.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -18.49 65.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 14' ' ' VAL . 98.5 mt -93.57 -59.29 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 36' ' ' CYS . 2.8 m -47.27 -37.33 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.52 122.52 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.72 -55.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.09 95.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 11.9 m170 61.87 159.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.642 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 44' ' ' HIS . . . 177.69 109.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -147.7 121.91 9.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 m 45.65 94.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -146.9 173.72 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.55 157.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 27.6 p -76.29 165.55 24.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.626 ' CE3' ' CZ ' ' A' ' 89' ' ' PHE . 58.5 m95 -158.67 160.71 36.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 107.983 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.89 -168.94 28.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.1 mt -113.93 151.08 32.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.64 115.55 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.8 pt-20 -81.34 121.44 26.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.35 145.33 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.349 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.9 m-70 -113.14 94.05 28.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.411 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.4 Cg_endo -74.98 56.9 4.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.692 ' CD2' HD21 ' A' ' 60' ' ' LEU . 6.7 p-80 -167.75 -41.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -102.42 -2.2 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.28 47.97 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -115.82 161.95 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.723 ' H ' HD13 ' A' ' 62' ' ' LEU . 8.8 mp0 -145.28 108.56 4.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 15.6 tpp180 -117.7 150.84 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -115.99 136.04 12.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -109.86 155.15 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 34.1 mt-10 -79.94 -178.73 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.48 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -68.07 -54.97 14.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 18.5 p-80 -43.65 -46.55 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 5.9 mm-40 -43.52 130.98 5.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.65 113.23 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -46.64 -41.92 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 77' ' ' ALA . 56.5 t -65.13 -59.63 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.48 -39.0 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -78.52 -29.68 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -75.05 -31.5 61.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.65 -37.28 62.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.15 79.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 47.4 m0 -46.23 143.09 3.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.74 34.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.69 121.26 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.42 -34.9 5.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.76 -33.68 4.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 59.26 30.36 20.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.4 m -57.43 155.07 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -139.12 -179.01 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 53' ' ' LEU . 6.5 m-85 -118.0 124.31 47.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 86' ' ' ARG . 10.8 t -104.21 151.21 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 9.1 t80 -111.53 114.46 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HE ' HG11 ' A' ' 88' ' ' VAL . 81.5 mtt180 -135.01 151.96 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 51' ' ' TRP . 3.6 ptpt -107.07 -23.95 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -134.37 62.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -96.59 131.85 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 63.01 130.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.3 m 61.3 143.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.6 -144.61 9.28 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.58 29.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 t 63.68 102.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -59.18 2.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -170.14 -55.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -141.97 110.76 6.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 -134.67 12.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.5 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 109.95 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -99.89 163.14 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.14 -165.65 15.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -122.76 156.41 61.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 91.4 m-70 -106.39 109.86 21.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -92.18 92.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.39 133.8 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -105.9 104.28 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.2 t -98.15 133.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 61.7 m-85 -109.25 143.04 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.75 147.0 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -39.64 -59.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -40.47 -45.0 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.27 -30.0 2.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.16 126.11 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.28 130.51 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 39' ' ' LEU . 15.7 ptp180 -133.99 147.5 51.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 p -121.23 142.67 49.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.557 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 14.1 m -124.49 146.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.43 117.04 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 10' ' ' HIS . 33.8 m -136.75 165.52 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -127.85 176.89 7.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.7 78.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 177.26 -49.29 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -44.1 146.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -112.95 177.25 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -56.07 -34.61 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -66.34 -46.34 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -45.99 -59.43 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 HD11 ' A' ' 53' ' ' LEU . 41.1 t -50.07 -60.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.898 ' O ' HG22 ' A' ' 40' ' ' VAL . 40.6 t -41.93 -51.1 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.3 mm-40 -62.75 -42.44 99.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.557 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 88.1 mtp -66.91 -22.47 65.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 22' ' ' ARG . 74.9 mt -88.79 -57.58 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 36' ' ' CYS . 11.8 m -50.78 -45.0 27.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 64.94 111.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER 170.86 -40.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 69.83 -65.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -42.73 -63.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 40.25 70.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD13 ' C ' ' A' ' 46' ' ' LEU . 2.4 tm? -60.95 -60.55 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.23 -76.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.88 -171.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -108.36 179.42 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -81.31 138.93 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 52.8 m95 -146.62 167.8 22.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.58 173.99 46.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 87' ' ' PHE . 5.6 mt -97.31 148.31 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG21 ' HD3' ' A' ' 90' ' ' ARG . 79.6 t -136.76 113.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.59 134.31 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.57 143.78 44.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.7 m-70 -113.9 93.42 29.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.721 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -166.58 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.39 -3.14 29.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.23 49.15 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.88 158.53 24.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.96 109.9 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.8 tpp180 -116.42 138.79 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -101.02 145.0 16.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.64 151.51 44.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.788 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 15.1 mt-10 -77.0 -176.14 3.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -70.9 -54.95 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 35.8 p-80 -44.52 -43.04 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -43.58 134.36 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.11 110.83 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -45.61 -40.37 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.76 -63.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -48.11 -39.93 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -30.89 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -73.59 -34.25 64.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.32 -33.47 69.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.35 84.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.9 m0 -42.85 139.66 2.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.2 Cg_endo -75.0 177.83 8.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.0 p -93.34 120.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.7 -63.33 0.63 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.9 113.54 5.96 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.96 60.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 75.0 m -57.96 153.55 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.7 177.09 10.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.524 ' HB3' HD22 ' A' ' 53' ' ' LEU . 26.8 m-85 -114.13 120.51 40.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 86' ' ' ARG . 42.7 t -100.82 132.71 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.37 117.1 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.498 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.5 ptm180 -146.94 152.88 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 4.8 ptpt -102.83 -27.89 12.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -121.94 87.91 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -110.57 124.88 52.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 111.06 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -177.95 57.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t 70.19 170.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.83 77.34 0.89 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 93.9 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.11 -64.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 -57.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -160.74 114.85 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -63.87 -58.37 6.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 -66.3 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.13 145.0 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.47 160.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.48 -164.32 5.07 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -139.84 168.28 15.54 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.457 0.74 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.54 18.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -116.76 114.54 24.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.9 m -88.06 42.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.1 t -32.94 126.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.79 115.36 28.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 35' ' ' VAL . 37.6 t -110.97 88.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -59.17 145.55 42.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.3 m -113.26 146.39 39.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -42.24 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -43.13 78.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 105.58 18.67 11.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.14 69.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t 63.24 133.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 108.332 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -151.8 148.86 28.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 11' ' ' VAL . 48.8 m -122.23 146.5 47.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.953 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -128.66 131.38 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.8 105.96 10.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -124.57 163.48 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.82 155.95 29.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.77 99.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.99 -49.44 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.31 128.16 32.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -95.39 -178.76 4.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . . . -58.97 -16.76 19.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 4.4 tpt180 -84.94 -45.5 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -48.28 -46.77 36.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 55.3 t -58.79 -49.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 t -50.64 -47.74 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.45 -58.75 7.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.8 mmm -48.17 -59.28 3.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 35' ' ' VAL . 46.4 mt -51.7 -57.67 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 36' ' ' CYS . 48.2 t -49.24 -57.45 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.701 ' CD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER 172.67 167.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.83 -51.67 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.23 -175.39 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 70.35 -65.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -41.54 143.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.31 -179.69 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.81 157.95 18.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 178.95 122.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 67.21 165.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.59 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 29.8 m -98.52 159.21 15.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 50' ' ' THR . 57.9 m95 -154.04 170.96 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.87 -136.05 2.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.7 mt -141.18 157.78 44.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.64 113.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 4.6 pt-20 -76.66 120.26 21.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -98.58 142.82 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 35.2 m-70 -112.77 94.92 31.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.567 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.453 ' CD ' ' HA ' ' A' ' 85' ' ' SER . 18.3 Cg_endo -75.04 57.94 4.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.804 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.9 p-80 -171.13 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.636 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -104.61 -1.66 26.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.69 51.38 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.741 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -117.11 161.75 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.741 ' H ' HD13 ' A' ' 62' ' ' LEU . 4.2 mp0 -145.75 108.26 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 5.4 tpm_? -115.41 140.92 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -103.27 92.91 0.96 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 2.0 pt? -61.92 142.84 57.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 mt-10 -67.17 -172.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -78.53 -53.11 7.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -52.02 -23.93 5.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.586 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.57 128.79 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -86.41 122.13 29.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 32' ' ' ALA . 1.5 m -57.38 -38.39 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.09 -64.03 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -46.81 -36.76 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 71' ' ' SER . 79.3 t -80.5 -36.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.2 tt0 -68.53 -34.97 76.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.1 62.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -26.19 66.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 48.4 m0 -58.69 144.05 80.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.04 32.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.68 -68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.55 58.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -45.33 -55.7 6.61 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 60.52 32.25 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 33.4 m -59.82 163.12 4.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 175.84 10.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 53' ' ' LEU . 31.7 m-85 -111.92 142.92 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.9 t -128.92 141.51 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 6.7 t80 -97.9 118.55 34.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' NE ' ' HB2' ' A' ' 93' ' ' PHE . 5.8 ptm180 -157.22 147.19 20.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -97.33 -27.74 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.63 109.31 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -142.29 145.83 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 93' ' ' PHE . . . 175.15 64.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.49 81.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 40.65 88.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.2 m -166.01 144.74 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.09 144.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -117.1 -59.15 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 0.8 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 166.97 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.37 -110.84 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.93 52.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.34 113.61 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.7 -145.94 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.35 157.82 5.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.328 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m-70 -113.96 107.1 15.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.7 t -89.14 91.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' HB ' HG23 ' A' ' 24' ' ' VAL . 44.3 t -73.72 128.85 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -98.06 100.86 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG21 HG11 ' A' ' 35' ' ' VAL . 25.0 t -95.8 127.35 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CD2' ' HD2' ' A' ' 86' ' ' ARG . 98.5 m-85 -102.49 143.47 32.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 9.6 t -93.45 138.46 31.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -49.87 -27.22 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -69.65 -34.41 73.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.7 -16.69 4.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -56.5 161.78 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -136.46 110.77 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.27 157.4 21.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.8 m -128.78 163.48 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG13 HD21 ' A' ' 39' ' ' LEU . 2.3 m -147.78 136.59 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.7 104.03 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -133.84 175.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.06 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' NE2' ' A' ' 10' ' ' HIS . . . -79.98 76.16 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.37 144.52 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 67.1 p -106.2 -178.0 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -53.21 -58.88 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.0 tmm_? -45.46 -57.39 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -38.99 -41.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG11 HG21 ' A' ' 14' ' ' VAL . 55.8 t -71.85 -47.89 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 t -51.51 -45.59 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -61.32 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.84 -51.49 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.571 HD21 HG13 ' A' ' 24' ' ' VAL . 79.0 mt -57.38 -39.09 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -55.65 -43.42 73.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 60.61 163.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.93 81.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.05 160.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 63.43 97.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' SER . . . -90.32 -60.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mp 67.11 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -114.57 116.14 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -179.63 172.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 tt0 -81.42 162.63 23.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -65.7 -48.59 71.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 49' ' ' GLU . 61.2 m95 62.39 168.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.03 -179.65 48.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.9 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.8 mt -102.28 157.35 16.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 88' ' ' VAL . 22.9 t -139.43 113.43 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' ARG . 1.9 pt-20 -73.79 104.37 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.02 142.99 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 45.0 m-70 -113.85 94.4 33.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.5 Cg_endo -74.98 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.717 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.2 p-80 -166.82 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.641 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.38 -4.16 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.41 53.01 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.59 160.79 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -145.24 111.33 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 2.7 tpp180 -120.05 143.54 48.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -109.6 137.22 14.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -109.05 169.57 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.03 -170.62 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.9 p-10 -79.68 -20.39 46.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -83.82 1.5 42.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 31' ' ' THR . 5.9 mm-40 -99.73 118.28 35.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 112.44 14.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -49.01 -42.51 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 28' ' ' ALA . 12.6 t -62.41 -59.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -50.85 -40.3 55.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.9 t -76.07 -28.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.6 tt0 -77.83 -30.07 50.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -83.89 -29.53 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.67 -24.58 59.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 24.4 m0 -48.53 148.49 3.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 107.978 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.14 31.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.28 139.42 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.75 -57.81 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.14 117.19 8.27 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 21.7 m-20 -81.05 54.46 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 7.6 m -54.55 136.65 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' HD2' ' CD2' ' A' ' 15' ' ' TYR . 9.5 ptt180 -126.9 176.15 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CE1' HG12 ' A' ' 72' ' ' VAL . 17.1 m-85 -108.22 111.47 23.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' VAL . 6.7 t -99.98 131.26 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.8 t80 -91.76 115.01 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 88' ' ' VAL . 42.7 mtp180 -133.06 148.27 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 2.6 ptpt -101.01 -23.8 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -149.48 76.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.407 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 24.8 p90 -98.77 144.54 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 58.21 82.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.9 t -109.99 118.79 37.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.71 -145.16 1.41 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 67.08 6.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.77 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 t -144.76 89.18 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.77 169.43 7.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.47 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 48.46 94.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.35 -145.59 4.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.67 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.47 75.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 -59.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.31 149.18 72.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.15 11.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.02 109.51 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.7 t -88.75 92.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.56 128.28 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -101.43 128.55 47.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 39' ' ' LEU . 24.4 t -125.04 134.15 67.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 87.7 m-85 -111.81 141.66 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -99.71 151.87 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -46.64 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.46 -43.54 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.88 -31.49 2.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.71 137.86 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.0 p -105.17 146.18 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.235 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -144.97 141.24 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -126.95 155.33 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' HB ' ' HE3' ' A' ' 38' ' ' MET . 4.2 m -138.1 137.86 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.55 106.13 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.25 164.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -101.62 172.73 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 71.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -171.41 -39.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 143.73 22.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 68.0 p -108.9 -172.9 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 53' ' ' LEU . . . -55.95 -59.57 4.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 2.7 tmm_? -45.81 -55.99 5.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -41.03 -41.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 32' ' ' ALA . 46.0 t -72.22 -43.2 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.2 t -56.29 -48.47 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.89 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE3' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -50.11 -56.06 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.6 mt -52.76 -39.97 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.12 -43.45 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 62.54 87.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.55 132.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.57 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.668 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 68.5 m-70 42.1 -101.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.55 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 44' ' ' HIS . . . 82.15 100.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.35 65.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.55 77.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 175.27 161.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -52.08 165.07 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 47.4 p -86.38 153.35 21.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 25.4 m95 -140.77 155.73 46.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.53 -152.52 6.9 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.917 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 5.1 mt -125.72 147.69 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG21 ' HD3' ' A' ' 90' ' ' ARG . 70.2 t -136.66 113.75 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.63 130.03 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.661 ' SG ' HG21 ' A' ' 88' ' ' VAL . 1.3 m -108.28 144.4 35.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.7 m-70 -113.66 93.59 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.4 Cg_endo -74.98 55.88 4.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.745 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.9 p-80 -167.02 -42.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.69 -3.36 26.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.31 51.12 14.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.45 163.57 16.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -145.04 108.64 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -116.46 141.9 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.0 154.02 17.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -129.84 161.41 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -90.51 -170.91 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.6 p30 -79.59 -23.79 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 67' ' ' GLU . 47.4 p-80 -79.15 -9.97 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.548 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . 8.3 mm-40 -84.72 120.29 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.01 119.02 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.8 OUTLIER -53.7 -41.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ALA . 39.4 t -64.15 -54.05 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.1 -42.58 73.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.41 -28.67 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.8 tt0 -75.97 -33.34 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -75.0 -25.51 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -36.85 76.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.2 m0 -46.43 143.1 4.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 165.19 31.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.6 t -93.5 66.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.23 -45.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.33 136.74 13.16 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -81.17 54.01 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 66.2 m -51.22 145.42 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -147.0 169.5 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' HD22 ' A' ' 53' ' ' LEU . 30.0 m-85 -103.07 123.55 46.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.661 HG21 ' SG ' ' A' ' 56' ' ' CYS . 55.0 t -101.5 150.7 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 3.3 t80 -110.84 114.74 28.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' HD3' HG21 ' A' ' 54' ' ' VAL . 2.2 ptm180 -145.19 159.16 43.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -109.12 -22.94 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -121.7 109.54 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 1.4 t80 -168.84 -40.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . . . -177.76 106.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.73 114.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -43.28 104.72 0.06 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.88 5.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -49.37 154.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.2 t -157.54 -58.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.21 -58.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -122.1 -58.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.74 149.35 3.77 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -75.49 -59.85 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.4 84.05 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.92 -108.32 0.84 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 157.97 33.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.12 23.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -104.75 109.81 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.1 t -88.19 93.89 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' A' ' 26' ' ' VAL . 68.8 t -75.08 129.72 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -103.99 101.84 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.95 126.41 48.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' CD1' ' HD2' ' A' ' 86' ' ' ARG . 96.2 m-85 -99.06 142.75 30.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' GLY . 13.8 p -102.99 148.28 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.46 -49.57 5.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -43.36 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 134.49 -24.88 3.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.82 114.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.17 123.82 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -117.96 148.91 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -124.77 151.53 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 39' ' ' LEU . 6.8 m -139.63 136.83 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.79 119.71 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' CG2' HG23 ' A' ' 12' ' ' VAL . 34.8 m -145.97 174.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.62 175.69 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.48 66.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.01 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.33 157.63 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.777 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 p -120.61 -177.02 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -67.4 -9.96 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 6.6 tpt180 -86.41 -41.87 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -55.6 -59.67 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LEU . 52.9 t -50.08 -62.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.804 ' O ' HG22 ' A' ' 40' ' ' VAL . 50.0 t -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 108.27 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.597 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 3.7 mm-40 -59.69 -44.22 93.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 83.9 mtp -61.61 -30.75 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' VAL . 73.2 mt -82.14 -64.84 1.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 36' ' ' CYS . 18.7 m -42.79 -46.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.5 98.21 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -136.15 -48.41 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.71 -59.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.19 157.92 29.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -155.07 128.54 8.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.3 81.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.24 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 175.24 134.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mt-10 59.89 91.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 51' ' ' TRP . 3.0 t -70.2 -48.27 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 9.9 m95 62.52 173.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.34 -169.81 29.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 87' ' ' PHE . 7.6 mt -109.86 153.58 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.0 t -141.18 114.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 64' ' ' ARG . 2.9 pt-20 -72.75 117.83 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.64 143.19 31.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 40.5 m-70 -112.96 94.93 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 56.77 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.671 ' CD2' HD21 ' A' ' 60' ' ' LEU . 7.0 p-80 -167.87 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.671 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.87 -1.26 29.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 53.15 47.19 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -112.7 162.06 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.747 ' H ' HD13 ' A' ' 62' ' ' LEU . 11.5 mp0 -145.79 107.6 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB3' ' CG ' ' A' ' 55' ' ' GLU . 4.6 ttp85 -116.73 138.01 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.492 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -103.94 131.95 10.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.39 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 41.5 mt-10 -69.49 -173.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -85.83 -53.08 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -49.25 -32.57 10.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.49 127.04 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -77.76 107.08 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.055 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -44.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ALA . 97.6 t -62.06 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -46.92 -25.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 71' ' ' SER . 96.8 t -86.75 -41.77 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.02 -5.53 51.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -97.49 -23.94 15.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -27.53 47.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.526 ' CD2' ' HB2' ' A' ' 85' ' ' SER . 38.7 m0 -43.63 146.71 0.92 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 165.37 31.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.9 p -83.46 107.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.76 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.89 103.62 1.17 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.69 59.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -60.95 152.37 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.047 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HD2' ' CD1' ' A' ' 15' ' ' TYR . 8.7 ptt180 -136.38 176.16 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 53' ' ' LEU . 40.5 m-85 -110.05 113.31 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.8 129.79 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 2.6 t80 -91.61 115.28 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -144.7 160.64 40.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -108.44 -23.79 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -122.65 77.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CZ ' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -104.62 126.83 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.88 -44.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -146.37 83.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -49.05 176.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 m -107.23 -55.12 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.28 107.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.89 113.59 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -147.97 95.98 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.47 -121.78 27.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -92.45 96.56 10.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.93 145.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.27 157.6 25.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.7 148.59 69.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.09 15.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.29 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.13 93.63 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.24 130.48 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -105.04 105.02 14.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -100.26 133.18 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 52.1 m-85 -102.19 146.48 27.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -104.64 145.14 30.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.47 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.58 -46.05 19.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 137.94 -27.56 2.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.1 126.79 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 0.726 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.24 129.24 46.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.827 ' HE ' HD22 ' A' ' 39' ' ' LEU . 5.4 ptm85 -137.61 146.19 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.1 p -130.38 160.51 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' HE1' ' A' ' 38' ' ' MET . 15.7 m -137.48 151.0 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.75 113.2 23.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.4 176.95 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -142.85 154.61 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.4 96.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . 161.39 -51.92 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.01 155.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -120.49 178.15 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -21.32 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -76.27 -44.38 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -51.29 -57.97 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.65 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG12 ' CD1' ' A' ' 39' ' ' LEU . 72.3 t -55.57 -52.86 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.912 ' O ' HG22 ' A' ' 40' ' ' VAL . 52.5 m -47.46 -40.6 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 8.7 mm-40 -75.76 -43.49 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HE1' ' HB ' ' A' ' 24' ' ' VAL . 84.0 mtp -63.65 -23.36 67.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.827 HD22 ' HE ' ' A' ' 22' ' ' ARG . 70.8 mt -87.65 -60.47 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.912 HG22 ' O ' ' A' ' 36' ' ' CYS . 13.3 m -47.91 -47.5 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 63.09 80.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -149.79 -57.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . 81.38 132.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 61.11 58.49 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.585 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.28 58.43 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -72.97 123.43 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.4 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 175.97 -80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -131.31 59.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.363 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -40.42 -61.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.598 ' CZ2' ' HD2' ' A' ' 91' ' ' LYS . 12.3 m95 65.64 161.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.2 -178.1 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 7.4 mt -105.77 151.61 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 90' ' ' ARG . 73.8 t -136.72 113.45 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 79' ' ' TRP . 4.5 pt-20 -73.28 133.45 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.59 142.3 46.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 43.4 m-70 -114.76 94.06 35.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 55.74 4.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.789 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.0 p-80 -168.38 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -102.06 -3.45 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.81 49.93 19.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.69 159.14 20.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -144.86 107.54 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -119.43 143.34 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -107.1 138.7 14.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.38 150.04 37.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -173.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -73.39 -54.28 8.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -48.04 -34.09 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 126.08 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.91 125.8 32.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 2.0 m -58.53 -38.39 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -68.58 -62.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.58 -37.19 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 71' ' ' SER . 90.8 t -80.32 -34.77 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 72' ' ' VAL . 2.1 tt0 -69.52 -34.29 74.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.77 62.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.23 -34.23 77.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 53.9 m0 -50.19 150.94 3.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.1 p -97.61 117.87 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.77 -63.18 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 165.18 22.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -95.66 41.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 18.5 p -39.73 152.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.566 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -166.98 174.34 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -107.04 163.83 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' VAL . 70.0 t -137.71 152.15 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' HZ ' HG13 ' A' ' 40' ' ' VAL . 3.2 t80 -116.46 114.69 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.596 ' HD3' HG21 ' A' ' 54' ' ' VAL . 5.1 ptm180 -149.6 160.5 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.598 ' HD2' ' CZ2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -110.19 -21.71 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -124.11 79.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -111.41 137.82 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 72.22 57.83 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.1 t -142.59 -60.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.98 173.39 40.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.61 11.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.38 157.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -108.97 -58.56 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -155.85 97.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.988 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -158.29 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.26 89.25 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.17 99.04 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.5 77.92 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.54 69.77 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.9 157.99 87.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.75 6.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 41.1 m-70 -110.95 123.81 50.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.4 m -87.82 40.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' VAL . 21.0 t -29.91 121.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.78 110.77 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 39' ' ' LEU . 10.2 t -102.38 94.15 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 57.5 m-85 -66.61 146.83 54.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 25.6 p -116.52 144.99 43.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -42.09 -41.78 2.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -45.26 81.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 121.49 -13.23 9.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.87 -59.7 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 47.5 t 68.31 129.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -121.56 165.3 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -132.05 135.17 46.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG21 HG13 ' A' ' 35' ' ' VAL . 3.1 m -125.64 132.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -85.16 104.25 14.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 156.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -79.74 1.72 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 27' ' ' ALA . . . 89.23 -38.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -23.08 53.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.35 175.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -127.26 -169.53 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . . . -67.59 -31.71 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -66.55 -47.72 71.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.39 -62.25 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG13 HG21 ' A' ' 24' ' ' VAL . 68.8 t -47.95 -48.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.2 t -53.42 -56.12 19.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.283 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.14 -45.76 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.6 mtp -61.61 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 14' ' ' VAL . 48.4 mt -56.3 -52.55 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 36' ' ' CYS . 59.8 t -58.37 -56.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' VAL . 11.1 pt20 37.18 58.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.51 126.97 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.83 -59.53 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 97.16 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.28 177.32 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.1 tp 70.11 -72.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.1 p -54.56 110.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 59.03 163.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 54.02 59.91 3.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 12.8 t -52.86 178.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' CH2' ' HE2' ' A' ' 91' ' ' LYS . 71.0 m95 -155.94 178.7 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.78 175.46 37.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.483 HD12 ' CG1' ' A' ' 72' ' ' VAL . 6.5 mt -100.28 150.82 22.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' VAL . 77.6 t -136.65 114.25 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' OE1' HD22 ' A' ' 66' ' ' LEU . 2.4 pt-20 -77.63 126.75 31.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.47 145.15 36.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 48.1 m-70 -116.11 93.17 37.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.35 3.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.719 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.8 p-80 -166.07 -42.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.719 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.38 -2.66 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.81 49.97 16.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.12 159.74 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -145.15 107.48 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NE ' ' OE2' ' A' ' 55' ' ' GLU . 17.3 ttp180 -116.82 147.68 41.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.7 130.92 9.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD22 ' OE1' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -106.85 155.0 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.25 173.1 12.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.62 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -65.22 -59.59 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CE1' ' HG2' ' A' ' 70' ' ' GLU . 28.4 p-80 -40.91 -44.38 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 69' ' ' HIS . 6.2 mm-40 -49.95 127.88 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -79.38 116.59 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -43.72 -44.81 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.62 HG21 ' HA ' ' A' ' 28' ' ' ALA . 17.4 t -65.28 -63.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -46.9 -24.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 71' ' ' SER . 86.7 t -88.2 -44.65 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.97 -4.77 40.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -90.3 -23.43 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.42 -30.78 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.8 m0 -45.97 137.99 5.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' TRP . 18.3 Cg_endo -75.01 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -86.44 146.06 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -53.78 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 121.62 25.96 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.04 51.87 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 16.4 m -49.03 160.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -164.02 170.77 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -104.47 152.09 22.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' VAL . 59.2 t -135.99 128.48 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 8.9 t80 -91.37 118.33 30.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -151.0 141.86 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE2' ' CH2' ' A' ' 51' ' ' TRP . 1.2 ptpt -99.32 171.21 8.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.96 28.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 93' ' ' PHE . 2.1 p90 -80.44 131.54 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.77 -74.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.4 p -130.18 88.7 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.87 146.82 45.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.81 4.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.3 168.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.59 167.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -153.18 145.63 24.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.31 107.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.19 -163.46 10.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 m -100.2 96.08 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -160.49 -60.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.54 111.77 0.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 158.62 87.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -112.77 116.83 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.7 m -90.17 35.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' VAL . 12.9 t -31.91 131.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -100.7 128.79 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 39' ' ' LEU . 25.6 t -119.45 103.87 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 84.5 m-85 -80.35 144.18 32.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.05 150.01 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.66 -45.61 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -44.1 76.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.75 -27.46 3.07 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.99 116.75 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.774 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 p -97.48 146.4 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 22' ' ' ARG . 2.7 ptm85 -147.75 147.55 30.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 9.6 p -115.69 147.84 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -131.95 128.79 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.33 111.63 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.69 148.13 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -92.75 172.56 8.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.94 64.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -159.38 -46.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.59 159.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 p -127.07 -173.13 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLU . . . -68.03 -9.71 47.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -35.59 20.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -67.27 -57.6 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG12 ' CD1' ' A' ' 39' ' ' LEU . 73.3 t -48.26 -59.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.907 ' O ' HG22 ' A' ' 40' ' ' VAL . 46.5 t -42.18 -39.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 108.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.601 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . 5.3 mm-40 -78.15 -43.35 29.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmm -63.01 -21.72 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 14' ' ' VAL . 56.0 mt -89.91 -62.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 36' ' ' CYS . 12.3 m -44.75 -47.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -42.64 113.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -155.2 -48.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.09 -60.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.05 -66.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 47.09 88.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.94 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.28 92.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -145.35 113.98 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.74 154.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 44.5 p -86.3 159.97 19.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CD1' ' O ' ' A' ' 50' ' ' THR . 54.9 m95 -155.84 169.32 24.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.984 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.49 -153.0 9.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.8 mt -128.92 151.56 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 88' ' ' VAL . 50.9 t -138.65 116.45 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.77 125.75 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.48 144.08 36.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 44.6 m-70 -113.88 93.35 28.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.747 ' CD2' HD21 ' A' ' 60' ' ' LEU . 5.1 p-80 -167.63 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.747 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -102.34 -4.92 24.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.2 51.26 12.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tp -119.29 158.96 25.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -144.95 107.8 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -116.72 137.05 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.82 132.69 11.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -108.29 154.59 21.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.306 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.0 mt-10 -68.67 -170.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -49.74 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -57.82 -25.35 60.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.86 134.57 51.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -82.67 108.86 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -45.27 -44.16 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.6 t -62.37 -41.16 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.1 mt-10 -69.95 -29.3 66.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 66' ' ' LEU . 89.8 t -84.73 -28.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.544 ' HA ' ' CD2' ' A' ' 79' ' ' TRP . 5.6 pt20 -89.11 -20.79 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -74.22 -32.23 62.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.02 81.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 54.4 m0 -43.02 137.71 2.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 108.04 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.37 20.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.08 -38.45 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.75 59.68 4.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.24 120.94 0.78 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.26 53.63 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 71.6 m -55.37 147.28 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.71 -179.26 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.74 149.24 38.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -132.02 131.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' CE3' ' A' ' 51' ' ' TRP . 7.8 t80 -92.33 116.3 28.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' NE ' ' HB2' ' A' ' 93' ' ' PHE . 8.1 ptm180 -151.96 149.79 29.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -99.04 -40.3 8.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.15 100.98 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.603 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 1.5 p90 -133.29 131.16 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 77.26 94.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' ALA . 88.5 p -39.38 148.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.73 -69.12 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 62.64 5.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -146.69 166.93 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -78.55 123.2 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -153.53 -58.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.54 150.41 38.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.72 118.39 3.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.9 -58.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.15 88.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.12 -129.76 26.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.52 164.92 55.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.01 9.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -91.37 114.79 27.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.5 m -89.62 36.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 11' ' ' VAL . 18.6 t -29.79 125.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HB3' ' A' ' 23' ' ' SER . 3.1 mtpp -99.91 115.72 30.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 35' ' ' VAL . 34.3 t -107.95 98.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' CD1' ' HD3' ' A' ' 86' ' ' ARG . 59.0 m-85 -67.42 151.2 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -114.41 149.57 36.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.86 -44.13 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -54.69 -40.61 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' SER . . . 131.86 -32.21 2.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 118.77 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 21' ' ' CYS . 30.1 p -99.3 110.01 22.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.8 mmt180 -104.25 157.28 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.3 p -132.09 137.57 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.37 131.39 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -81.57 104.51 12.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 30' ' ' ALA . 5.9 m -130.05 155.65 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLY . . . -90.28 171.68 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.46 65.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . . . -164.71 -41.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . . . -46.61 153.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.0 p -124.38 161.75 25.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 53' ' ' LEU . . . -38.69 -39.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB2' ' CB ' ' A' ' 68' ' ' ASP . 3.4 tmm_? -51.32 -69.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' ARG . 27.7 m80 -38.47 -57.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 14' ' ' VAL . 59.4 t -44.16 -49.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' ARG . 46.1 t -54.21 -55.62 26.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.81 -53.47 48.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtm -56.27 -58.57 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 14' ' ' VAL . 94.1 mt -52.7 -59.72 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t -43.86 -55.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -58.21 125.23 22.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.51 -60.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.92 -55.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -132.95 77.1 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.613 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.21 73.4 9.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.21 -75.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -69.07 135.79 51.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -159.81 117.61 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.73 48.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m 70.61 -63.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 91' ' ' LYS . 45.7 m95 65.38 -175.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.66 -141.84 4.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.152 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 32' ' ' ALA . 7.4 mt -139.38 154.29 47.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 88' ' ' VAL . 89.2 t -141.57 113.44 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -76.05 125.45 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.1 144.51 32.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 46.4 m-70 -115.43 92.97 34.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.6 3.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.76 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.4 p-80 -166.58 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -101.94 -2.95 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.57 52.34 12.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.9 160.76 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -145.12 107.54 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 65' ' ' GLY . 1.6 ttp180 -115.2 139.8 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' ARG . . . -105.73 145.82 15.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 155.22 43.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.6 mm-40 -72.19 -171.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.514 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -84.65 -41.2 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -64.44 -18.03 64.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.45 131.07 45.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.714 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -80.12 112.17 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' CA ' ' A' ' 32' ' ' ALA . 1.6 m -53.59 -41.47 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 19.4 t -63.97 -63.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.32 -23.09 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 71' ' ' SER . 67.8 t -88.35 -31.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.8 pt20 -88.95 -6.47 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . . . -84.93 -23.05 29.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.74 -28.01 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 85' ' ' SER . 46.6 m0 -43.72 139.86 2.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -87.48 133.84 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.41 -63.86 0.35 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.12 145.42 26.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.36 43.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HB2' ' CE3' ' A' ' 79' ' ' TRP . 2.1 m -45.75 144.79 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -153.12 -178.35 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -115.27 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' VAL . 93.1 t -125.45 149.55 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.453 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 12.7 t80 -112.31 114.84 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.058 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -152.34 152.43 32.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -104.25 -25.28 12.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -110.41 106.76 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.1 t80 -175.19 131.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . 71.63 135.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' GLY . 0.4 OUTLIER -164.79 127.29 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' SER . . . 37.85 -124.19 1.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 80.36 2.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.72 -42.15 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.79 -93.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.993 . . . . . . . . 0 0 . 1 stop_ save_