data_2yux_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 2yux _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.27 16.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 148.67 35.85 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.779 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.494 ' OE1' ' CE ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -43.55 -46.81 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -161.58 165.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' N ' HD11 ' A' ' 23' ' ' ILE . 92.5 t -140.95 119.52 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.49 175.41 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.33 108.26 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -45.69 -47.06 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 t0 172.83 -179.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 p -147.29 125.56 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 35.7 p90 -136.68 158.56 44.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.81 -120.85 0.89 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.16 41.87 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 6.4 p30 -142.78 145.23 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.58 145.81 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLU . . . -111.19 117.13 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -101.93 153.89 19.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -148.02 108.32 4.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.8 p90 -116.29 151.93 34.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.057 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' HG22 ' A' ' 23' ' ' ILE . 39.8 p -94.05 160.78 31.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.6 30.9 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.71 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' CE ' ' OE1' ' A' ' 22' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -47.74 -53.35 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -175.48 -144.99 5.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 57.3 m-85 -155.05 121.95 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -81.89 131.02 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -108.53 144.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' HG21 ' A' ' 54' ' ' ILE . 85.5 mt-30 -139.51 128.82 24.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -110.9 150.48 29.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.7 154.13 33.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.99 167.19 10.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -91.24 27.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.58 -48.17 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 m -124.51 -2.2 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.0 mtp 45.7 34.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.6 mm-40 -83.93 134.88 34.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -102.66 123.52 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -121.99 116.31 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -39.96 114.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.08 -46.57 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.45 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -156.86 143.69 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.3 mt-10 -126.79 159.15 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.2 m-70 42.02 55.6 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.15 -171.4 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -70.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 173.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 39.9 p -104.47 3.3 31.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.36 140.4 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.1 139.01 28.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.6 m -92.7 116.68 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -75.77 161.77 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 p -139.21 -173.28 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 48.4 65.62 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.4 mt -124.38 135.73 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.88 129.52 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.32 136.73 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.93 50.3 2.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -176.79 173.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -121.17 164.41 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.19 158.26 40.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 30.5 m-85 -109.33 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 29.7 m-85 -162.13 143.8 10.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.36 138.58 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG21 ' CE3' ' A' ' 38' ' ' TRP . 74.7 t -106.45 129.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 9.9 m-85 -102.43 175.33 5.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 m -127.31 124.07 37.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.463 ' CG ' HD12 ' A' ' 99' ' ' LEU . 1.4 mt-10 -120.28 179.37 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.0 p30 168.53 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 0.0 109.21 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.68 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -61.67 2.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.03 -140.2 6.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 94' ' ' GLU . 3.1 mm? -94.14 137.9 32.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 0.736 . . . . 0.0 109.227 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 t -54.65 131.44 43.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -43.39 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.11 152.08 28.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -131.1 136.8 48.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 44.6 m -77.62 99.32 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.46 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -80.3 137.37 36.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.964 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 108' ' ' GLU . 23.0 p -48.32 121.89 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -40.2 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' THR . 47.1 mt-10 -137.71 173.72 11.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 p -97.25 162.85 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.45 120.78 40.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.52 117.23 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.4 mm -73.76 137.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.02 13.52 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.485 1.781 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 142.12 27.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -39.85 -54.32 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.72 161.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' HD13 ' A' ' 23' ' ' ILE . 45.0 t -137.21 115.5 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.42 174.3 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CG1' HD23 ' A' ' 36' ' ' LEU . 3.7 mt -118.14 101.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.78 -43.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.94 170.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 34' ' ' VAL . 5.3 p -138.72 122.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -133.26 147.81 51.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.9 -122.73 1.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -107.85 35.23 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -136.61 124.47 22.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 29' ' ' VAL . 1.8 t -108.99 145.58 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.27 120.54 42.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 89' ' ' PHE . 12.4 mt -104.54 152.01 22.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.16 107.55 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.2 p90 -116.31 152.04 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 4.1 p -91.31 161.3 35.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.43 37.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.41 32.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.479 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -58.93 5.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 71' ' ' TYR . . . -158.08 -161.65 11.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 98.8 m-85 -138.21 132.84 32.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 0.72 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 68.5 m -100.78 135.56 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 55' ' ' GLN . 2.7 mp -117.86 143.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' HG22 ' A' ' 54' ' ' ILE . 17.0 mt-30 -143.67 144.18 31.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' CB ' ' CD2' ' A' ' 64' ' ' TRP . . . -157.21 126.44 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.15 162.0 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 26.58 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -99.14 -43.27 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 4.1 m -141.58 14.98 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 mtp 41.26 43.69 2.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.8 mt-10 -94.9 132.62 39.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.577 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 1.9 m95 -111.6 151.89 28.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 108.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -140.24 -83.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -169.0 145.47 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 78' ' ' ILE . 53.2 t -126.38 -44.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.93 149.87 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.9 mt-10 -139.36 142.06 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.506 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 4.9 m-70 63.97 57.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 51' ' ' GLY . 1.7 t80 -99.95 168.8 9.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -126.45 -62.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.46 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 13.9 p -104.11 -0.12 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 144.38 44.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.08 135.18 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.2 m -87.11 115.15 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 67' ' ' VAL . 4.1 mm -74.21 153.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -136.45 176.45 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 59.33 60.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.33 142.49 50.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.4 t -94.62 134.02 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.18 124.15 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.67 35.68 2.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -164.08 175.8 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -123.87 165.17 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.06 159.77 41.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.483 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 28.7 m-85 -109.36 172.85 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CB ' HD21 ' A' ' 36' ' ' LEU . 73.2 m-85 -158.4 147.72 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -152.37 130.9 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 38' ' ' TRP . 69.9 t -97.49 148.25 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB1' ' A' ' 103' ' ' ALA . 38.3 m-85 -122.84 142.0 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -91.08 104.66 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 53' ' ' THR . 0.9 OUTLIER -89.75 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 95' ' ' ASN . 0.1 OUTLIER 177.97 -164.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -81.81 55.71 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.46 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.79 166.11 31.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.393 1.058 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.43 165.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.99 165.65 23.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -21.03 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -156.02 171.46 20.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.573 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.89 134.06 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.3 m -64.3 100.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 1.2 ttm -82.51 141.39 32.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 108' ' ' GLU . 31.9 p -51.69 123.66 10.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -30.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 106' ' ' THR . 15.4 pt-20 -127.54 179.35 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 p -107.56 170.57 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.49 119.35 39.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.3 t -90.54 120.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.84 151.94 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.98 13.59 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 142.42 27.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -46.1 -61.32 1.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -145.47 157.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.83 113.18 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -126.92 174.0 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -113.29 111.69 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -48.54 -44.67 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 174.33 175.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.84 123.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.447 ' CE2' ' CB ' ' A' ' 33' ' ' ASN . 12.2 p90 -125.7 127.43 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.35 -121.45 2.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.51 40.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 30' ' ' TRP . 24.5 m-80 -142.57 128.63 19.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 89' ' ' PHE . 2.4 t -119.46 153.66 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -123.25 121.29 35.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' A' ' 89' ' ' PHE . 16.1 mt -104.39 151.5 23.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.432 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.61 111.17 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.402 ' CE2' ' HA ' ' A' ' 74' ' ' THR . 48.1 p90 -122.88 151.54 41.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -96.92 159.29 31.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.53 36.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 146.44 32.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CG2' ' CZ ' ' A' ' 52' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -70.07 -60.32 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.9 -161.57 11.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' TYR . 82.4 m-85 -145.4 112.72 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -80.16 136.46 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.82 129.36 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -137.26 146.93 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CE ' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -119.59 154.02 34.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -148.61 120.55 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.78 176.53 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 17.45 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -74.66 -52.32 12.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -150.87 22.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.16 35.36 5.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mt-10 -86.46 132.6 33.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 90' ' ' ARG . 15.6 m95 -107.66 153.8 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 107.958 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' THR . 22.9 m-85 -132.62 -83.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 170.78 138.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.436 ' CG2' ' CE ' ' A' ' 56' ' ' LYS . 2.6 t -118.95 -44.06 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.03 156.9 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mt-10 -142.44 150.43 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 5.0 m-70 63.61 39.88 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.558 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -89.41 137.0 32.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.159 . . . . 0.0 110.918 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -122.06 35.88 4.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.548 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 178.34 4.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.402 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 12.4 p -122.49 10.98 9.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.02 144.52 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -94.19 138.4 32.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.1 mm -103.57 154.14 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -137.02 176.75 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.427 1.079 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.56 64.08 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.3 mt -127.05 128.24 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.432 HG11 ' ND2' ' A' ' 85' ' ' ASN . 7.7 p -79.95 143.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.38 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.418 ' N ' HG21 ' A' ' 82' ' ' VAL . 74.1 mt -86.78 104.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.22 -21.51 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.432 ' ND2' HG11 ' A' ' 82' ' ' VAL . 70.4 m-20 -99.8 156.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.79 153.81 28.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -140.02 170.82 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.467 ' CG ' ' HE2' ' A' ' 105' ' ' MET . 26.2 m-85 -129.06 138.09 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 33.5 m-85 -112.05 138.8 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -142.82 118.6 10.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.82 133.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 86.9 m-85 -111.45 -174.96 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 m -129.55 141.68 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.06 166.41 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.1 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -21.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 m -75.61 -77.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.27 -138.76 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -93.94 144.13 25.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 0.741 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.2 t -53.18 139.14 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -33.88 72.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.092 . . . . 0.0 110.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.29 152.18 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -119.29 140.28 50.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -75.25 99.55 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.467 ' HE2' ' CG ' ' A' ' 88' ' ' TYR . 1.6 ttp -81.07 146.19 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.0 p -58.31 129.23 41.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.447 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.66 -29.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -134.76 -174.84 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 90.9 p -111.52 167.6 10.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.33 118.52 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.97 100.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.1 mm -47.74 144.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 146.45 32.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -40.55 -57.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -151.85 163.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.2 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' HD11 ' A' ' 23' ' ' ILE . 38.5 t -140.92 114.5 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.4 167.52 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 HD13 ' CB ' ' A' ' 106' ' ' THR . 3.4 mt -110.39 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' CG ' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.56 -45.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.79 176.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.78 124.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 29.7 p90 -137.12 155.93 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.039 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.73 -120.78 2.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -114.71 24.51 11.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.586 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 12.8 p30 -126.87 133.37 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -111.17 154.2 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -117.81 119.51 35.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' A' ' 89' ' ' PHE . 20.3 mt -104.31 151.66 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -149.56 107.57 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.4 p90 -119.15 153.97 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 p -96.0 159.64 31.8 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 144.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 4.6 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 p -50.74 -42.48 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.46 -154.73 10.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 42.3 m-85 -145.33 133.96 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -84.32 149.85 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.74 148.94 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -150.85 141.86 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.59 156.7 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -157.68 148.02 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.97 172.33 7.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 22.84 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -44.69 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.08 -25.88 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.4 mmm 61.19 18.05 8.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.53 133.46 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.539 ' CH2' ' HG3' ' A' ' 90' ' ' ARG . 96.0 m95 -93.28 120.73 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -115.51 111.04 20.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -38.63 122.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 95.9 t -93.59 -48.66 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -158.68 157.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -129.29 140.55 51.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 53.67 48.9 20.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -62.68 -176.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.72 -77.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.523 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.65 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 3.0 p -97.6 -7.91 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.01 136.97 54.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.38 151.45 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.3 m -106.53 125.95 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mm -87.87 163.04 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -142.2 -173.23 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 44.1 74.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 87' ' ' TYR . 28.7 mt -131.95 165.38 24.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.82 137.01 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.6 mt -82.87 113.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.96 -17.98 9.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.21 165.98 11.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.38 167.86 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.384 1.052 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CZ ' HD22 ' A' ' 81' ' ' LEU . 45.8 m-85 -148.18 170.15 18.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.457 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 11.2 m-85 -136.82 145.71 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 29.3 m-85 -130.1 158.73 38.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 31.6 mtm180 -157.9 119.03 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.51 134.49 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 33.3 m-85 -116.82 137.58 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -73.09 103.07 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.424 ' OE2' ' CD1' ' A' ' 99' ' ' LEU . 1.9 tm-20 -84.88 151.71 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 40.7 p-10 -168.33 -175.95 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.51 28.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.34 -55.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 161.81 132.48 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.424 ' CD1' ' OE2' ' A' ' 94' ' ' GLU . 3.0 mp -43.39 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -70.84 142.2 51.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.82 62.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 165.55 23.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.557 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -131.21 150.69 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.9 m -89.85 99.93 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.369 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -74.01 144.91 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.407 ' CB ' HD13 ' A' ' 26' ' ' ILE . 17.5 p -46.13 119.83 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.84 157.3 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 p -78.27 175.45 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.6 126.19 48.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.61 108.71 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.9 mm -57.02 145.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.62 28.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.51 -51.05 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -158.0 159.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' CD1' ' A' ' 23' ' ' ILE . 74.9 t -135.55 113.68 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 172.37 7.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 ' CG1' HD23 ' A' ' 36' ' ' LEU . 4.4 mt -121.27 98.95 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.3 OUTLIER -38.86 -47.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 174.08 179.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.43 123.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' GLY . 27.9 p90 -130.26 148.06 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.27 -120.2 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.34 35.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 110.208 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -135.28 128.88 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.1 t -112.61 148.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -114.29 118.52 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.087 . . . . 0.0 109.41 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 89' ' ' PHE . 11.8 mt -106.74 150.31 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 1.2 p -147.78 106.82 3.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' HD11 ' A' ' 54' ' ' ILE . 44.0 p90 -116.87 152.21 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 4.9 p -92.71 157.75 39.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.98 36.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.41 38.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.769 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 50' ' ' THR . 3.7 mp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' HG21 ' A' ' 49' ' ' ILE . 32.1 p -117.26 -46.45 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.35 -167.13 17.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -144.98 128.53 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.5 m -90.76 147.6 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.553 HD11 ' CH2' ' A' ' 38' ' ' TRP . 2.5 mp -129.27 149.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -146.78 156.28 43.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -124.66 154.59 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.28 111.77 2.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -53.94 167.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 24.48 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.14 -49.74 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -120.83 -12.12 8.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 61' ' ' SER . 4.7 ptm 45.29 27.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -75.4 130.59 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 43.5 m95 -93.34 119.96 33.07 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.127 . . . . 0.0 107.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -113.16 -69.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 166.36 143.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.5 t -125.22 -44.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -156.26 165.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 4.0 mt-10 -142.05 151.51 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 7.0 p80 39.71 85.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.534 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -111.63 -172.48 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.75 -72.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 176.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.521 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 62.5 p -110.31 11.22 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -141.42 142.52 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.14 143.67 26.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 1.189 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.5 m -93.11 124.97 37.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.534 HG13 ' CE1' ' A' ' 89' ' ' PHE . 10.6 mm -90.53 138.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -118.54 178.14 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.45 60.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -121.79 136.08 54.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.52 132.64 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.89 138.68 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.51 30.35 7.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -164.63 162.43 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.602 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -115.89 164.05 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 12.0 m-85 -148.28 168.21 23.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.5 m-85 -108.63 -175.23 2.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 34' ' ' VAL . 70.8 m-85 -161.62 150.36 15.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.599 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -130.96 158.37 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -145.25 102.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 18.0 m-85 -80.43 -172.64 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 63.4 m -132.56 91.63 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.37 143.78 52.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.501 ' OD1' ' CB ' ' A' ' 97' ' ' CYS . 5.5 p30 -172.79 148.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.377 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.0 ptp -39.93 -36.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.501 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . 0.1 OUTLIER -65.11 -73.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 169.41 144.57 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 92' ' ' PHE . 2.8 mp -42.81 163.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -81.55 132.26 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -42.06 42.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.25 153.71 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 92' ' ' PHE . . . -131.27 145.14 51.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -71.79 97.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.486 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 1.7 tmm? -82.52 140.58 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 108' ' ' GLU . 21.0 p -39.94 119.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.59 -30.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 106' ' ' THR . 30.1 mt-10 -129.44 -174.0 3.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.2 t -106.13 163.67 12.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.54 124.18 49.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.5 t -91.22 127.56 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.4 mm -83.32 148.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.47 14.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -51.25 -59.75 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -145.66 161.06 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 ' N ' HD13 ' A' ' 23' ' ' ILE . 83.5 t -136.86 114.78 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.17 175.5 6.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.1 mt -119.04 101.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.36 -44.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.72 178.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.22 122.72 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 38.1 p90 -131.33 148.83 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 107.967 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.13 -119.94 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -109.26 25.46 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -126.64 124.55 40.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 35' ' ' ALA . 2.3 t -107.12 159.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -124.24 120.95 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 89' ' ' PHE . 13.0 mt -104.71 151.78 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.439 HG23 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.58 108.3 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CE2' ' O ' ' A' ' 74' ' ' THR . 48.4 p90 -116.7 152.91 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 23' ' ' ILE . 17.7 p -96.49 159.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.09 34.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -84.03 -37.44 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . 175.43 -141.22 5.6 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 61.0 m-85 -161.02 164.62 30.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.2 m -121.44 150.58 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 55' ' ' GLN . 2.9 mp -129.95 137.84 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' HG23 ' A' ' 54' ' ' ILE . 78.7 mt-30 -146.65 124.78 12.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -111.16 160.9 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.87 160.76 43.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.74 162.95 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 27.18 2.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.652 ' HZ1' ' ND2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -107.3 -41.93 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.5 m -143.86 19.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.5 mtp 37.23 38.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -78.63 122.27 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 90.0 m95 -93.82 125.03 38.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -125.28 115.96 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -41.05 118.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.449 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.15 -50.26 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.97 164.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -149.74 145.38 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.554 ' CD2' ' OE2' ' A' ' 94' ' ' GLU . 6.0 m170 58.2 57.54 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -87.88 -164.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -141.07 -67.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 171.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 23.9 p -105.78 -4.33 20.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.06 139.96 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.9 138.76 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -92.03 121.8 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.67 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -133.16 177.7 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 57.52 65.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.1 mt -129.14 132.78 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -87.49 129.4 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.8 mt -71.56 126.01 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.97 46.19 0.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.652 ' ND2' ' HZ1' ' A' ' 60' ' ' LYS . 14.1 m-20 -173.12 162.69 4.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.58 148.61 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -135.25 153.39 51.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' CG ' ' HE2' ' A' ' 105' ' ' MET . 23.9 m-85 -110.41 169.11 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.483 ' CD1' HD13 ' A' ' 36' ' ' LEU . 68.0 m-85 -151.62 153.44 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.543 ' HD3' ' CH2' ' A' ' 64' ' ' TRP . 27.3 mtp85 -150.23 122.8 8.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 92' ' ' PHE . 57.6 t -110.29 143.16 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 3.6 m-85 -116.17 -160.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.6 m -136.7 122.12 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.554 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -98.28 152.24 19.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 35.5 p-10 -176.34 -163.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -69.83 -35.08 74.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.449 ' N ' ' SD ' ' A' ' 96' ' ' MET . 7.2 t -69.08 -74.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.221 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 170.62 -152.61 19.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -159.91 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 p -117.24 148.32 41.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -31.01 65.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -135.82 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -131.61 152.37 50.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -87.56 100.88 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.158 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.473 ' HE2' ' CG ' ' A' ' 88' ' ' TYR . 1.2 ttm -83.11 144.02 30.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 108' ' ' GLU . 71.7 p -51.14 125.56 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -29.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 106' ' ' THR . 36.3 mt-10 -139.07 169.0 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.3 p -91.0 171.29 9.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.5 121.37 45.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -86.8 111.98 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.6 141.53 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.47 33.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.397 1.735 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -39.68 -56.57 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.07 162.74 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 23' ' ' ILE . 49.9 t -141.82 113.04 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 171.19 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.8 mt -114.97 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.95 -44.33 14.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 173.78 178.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 34' ' ' VAL . 2.4 p -147.58 123.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -128.41 141.17 51.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.87 -120.75 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.087 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.37 28.83 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -128.55 128.94 45.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.6 t -115.88 157.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -123.58 119.81 30.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 89' ' ' PHE . 32.1 mt -104.67 149.98 25.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.61 109.66 4.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.2 p90 -122.8 151.82 41.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 108.059 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -95.53 159.43 32.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.94 4.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -52.25 -59.9 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.22 -139.55 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -154.3 148.41 25.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -107.5 138.34 43.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 110.466 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.32 141.06 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -145.38 140.63 27.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -120.48 136.53 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.492 ' HB2' ' CG ' ' A' ' 64' ' ' TRP . . . -122.64 161.55 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -101.58 163.42 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.33 16.44 16.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -32.48 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -41.96 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 8.1 mtp 64.0 35.38 10.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -83.93 9.64 11.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CG ' ' HB2' ' A' ' 57' ' ' ALA . 84.9 m95 45.61 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 108.044 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 174.26 119.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -50.66 110.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -86.45 -42.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.513 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -161.54 165.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.1 mm-40 -139.03 158.6 43.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' ND1' ' OE1' ' A' ' 94' ' ' GLU . 4.7 m-70 38.81 61.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.513 ' CD1' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -80.23 -165.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -136.05 -71.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 166.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 18.2 p -98.41 2.17 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.9 151.64 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.44 145.61 21.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.9 m -96.78 123.73 40.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.0 mm -85.53 143.36 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -126.49 177.55 6.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 57.32 64.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -124.24 136.36 54.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.5 t -85.98 130.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 85.1 mt -75.96 129.87 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.33 43.23 1.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -171.79 163.96 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.16 158.48 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -139.93 167.76 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.51 ' CG ' ' HE3' ' A' ' 105' ' ' MET . 20.7 m-85 -120.44 140.37 51.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 34' ' ' VAL . 54.3 m-85 -123.59 146.41 48.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.6 ptt180 -148.91 124.61 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.05 131.33 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 30.3 m-85 -107.19 178.26 4.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 m -111.93 113.41 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.448 ' OE1' ' ND1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -83.25 158.94 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 165.97 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.1 ptp -42.07 -28.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -70.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.69 153.01 6.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -50.99 144.19 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 p -73.18 133.17 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -41.22 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.84 140.96 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -130.39 148.62 52.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.7 m -82.51 99.74 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.51 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 1.1 ttp -82.66 154.14 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 108' ' ' GLU . 36.1 p -67.65 125.39 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.76 -30.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 106' ' ' THR . 24.6 mt-10 -130.39 -175.9 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -111.48 165.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.57 118.24 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.26 125.83 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 ' CG2' ' HA ' ' A' ' 83' ' ' ILE . 22.9 mm -91.04 128.71 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.05 13.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -47.77 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.81 164.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 23' ' ' ILE . 48.8 t -139.94 117.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -127.18 171.97 10.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -116.05 105.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -41.41 -46.9 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 177.02 178.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 p -147.6 122.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASN . 19.6 p90 -123.58 130.75 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.57 -119.32 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -97.78 40.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' TRP . 13.9 m-80 -140.0 133.57 30.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.28 147.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 27' ' ' GLU . . . -116.99 118.43 32.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 ' CG ' ' A' ' 89' ' ' PHE . 43.0 mt -99.54 149.25 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -149.27 108.42 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.484 ' CE2' ' O ' ' A' ' 74' ' ' THR . 49.0 p90 -119.7 151.33 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' HG21 ' A' ' 23' ' ' ILE . 42.6 p -91.77 160.79 35.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.616 1.198 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.26 41.58 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.85 24.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -67.84 -58.14 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -144.45 3.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -154.92 120.35 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -92.29 128.57 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.27 153.09 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -148.41 139.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -117.35 148.7 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 64' ' ' TRP . . . -157.68 138.9 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -81.74 174.59 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 20.63 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -83.35 -50.54 8.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -155.24 33.59 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . 12.7 ttm 34.45 56.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 10.7 mt-10 -93.67 125.85 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.228 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 57' ' ' ALA . 58.4 m95 -107.95 125.51 51.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.67 21.29 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m 62.0 132.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.54 -44.53 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.494 HG23 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -162.63 153.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.87 145.74 51.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.45 58.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' HG23 ' A' ' 68' ' ' ILE . 3.2 t80 -73.68 -171.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -129.85 -77.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.587 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.484 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 2.5 p -109.89 -7.16 15.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.31 143.96 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.91 26.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.3 m -85.25 121.01 27.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.11 149.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.9 t -141.11 -149.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 110.373 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.46 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.7 mt-10 41.97 33.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 87' ' ' TYR . 34.0 mt -93.67 153.04 18.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.2 t -112.21 124.03 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 37.0 mt -64.05 138.12 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.53 39.25 5.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -162.63 157.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.0 pm0 -119.49 133.27 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.569 ' CE1' HD22 ' A' ' 81' ' ' LEU . 38.6 m-85 -123.83 170.05 10.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 12.6 m-85 -120.57 -179.13 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 60.1 m-85 -160.53 134.5 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' NH2' ' CD1' ' A' ' 64' ' ' TRP . 40.3 ptt180 -139.44 128.41 23.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' A' ' 38' ' ' TRP . 94.5 t -102.77 126.96 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 67.4 m-85 -103.05 -176.17 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -118.8 109.33 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -93.04 151.54 19.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 96' ' ' MET . 14.1 p-10 177.61 -166.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.422 ' HG3' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -54.49 -40.12 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' N ' ' SD ' ' A' ' 96' ' ' MET . 4.4 m -65.15 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.8 -135.02 2.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.43 154.57 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 p -84.39 129.27 34.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -37.81 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 135.2 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.52 ' HB2' ' CD1' ' A' ' 92' ' ' PHE . . . -130.37 155.88 45.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -92.63 100.26 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 88' ' ' TYR . 3.0 tmm? -93.7 149.89 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -71.66 102.67 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -26.6 60.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 -39.63 19.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.0 -162.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.26 130.14 28.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.67 113.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.392 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 83' ' ' ILE . 12.0 mm -77.99 139.93 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 151.8 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -45.2 -53.24 8.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -158.15 159.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' HD12 ' A' ' 23' ' ' ILE . 60.0 t -137.07 111.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -122.26 166.16 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLU . 3.5 mt -108.92 102.78 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.6 -46.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.42 177.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.34 123.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 p90 -130.56 143.92 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 113' ' ' ALA . . . 38.35 -119.71 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -107.39 44.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -143.38 127.5 17.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 35' ' ' ALA . 2.0 t -113.33 143.39 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -113.56 119.8 38.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.558 HD12 ' CD2' ' A' ' 89' ' ' PHE . 11.1 mt -104.26 151.39 23.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.49 109.24 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 54' ' ' ILE . 47.0 p90 -119.91 153.85 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.3 p -97.54 161.37 26.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 163.31 35.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.88 28.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.408 1.067 . . . . 0.0 109.353 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 p -64.24 -55.05 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.58 -150.94 5.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -146.72 152.39 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -112.52 135.65 52.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.566 HD11 ' CH2' ' A' ' 38' ' ' TRP . 2.9 mt -112.78 132.8 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -134.32 118.06 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' NZ ' HG22 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -115.07 166.97 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -156.42 162.71 40.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 168.52 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 25.14 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -110.66 -50.93 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -117.66 -22.9 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 76.1 mmm 60.87 43.46 11.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mm-40 -89.01 136.98 32.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.94 107.57 19.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.4 m-85 -118.51 114.28 22.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 18.4 m -37.87 124.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' NZ ' ' A' ' 56' ' ' LYS . 9.7 t -99.3 -32.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.451 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.27 151.38 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.58 145.86 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' CD ' ' A' ' 94' ' ' GLU . 10.4 m-70 49.52 45.67 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.38 -176.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -110.41 -78.65 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -175.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.545 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 73.3 p -108.66 5.86 25.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.07 137.13 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 140.82 39.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.6 m -95.09 114.66 26.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.8 mm -82.44 157.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 4.0 t -139.26 -167.31 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.554 ' N ' ' OG1' ' A' ' 79' ' ' THR . 7.1 mt-10 50.28 42.25 25.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.3 mt -105.79 132.29 52.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.437 HG13 ' ND2' ' A' ' 85' ' ' ASN . 7.3 p -88.21 140.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.18 122.4 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.605 1.191 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.82 -0.81 27.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' ND2' HG13 ' A' ' 82' ' ' VAL . 12.7 m-20 -116.66 160.32 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.23 145.71 43.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -137.24 158.18 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.467 ' CD1' ' HE3' ' A' ' 105' ' ' MET . 37.9 m-85 -116.58 164.08 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD2' HD12 ' A' ' 36' ' ' LEU . 13.0 m-85 -144.37 156.16 44.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 7.7 mtp85 -154.15 121.05 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.85 136.58 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 4.9 m-85 -118.51 157.0 28.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m -89.23 124.86 34.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' NE2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -103.83 153.24 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 178.93 -172.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.07 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -89.88 32.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 -59.14 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.57 143.06 3.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.46 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.812 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -79.73 123.65 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.59 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -110.12 152.22 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -131.17 144.26 51.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.4 m -83.24 99.44 9.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.467 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -80.69 143.18 33.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 71.8 p -48.48 119.52 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -40.37 -31.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.6 pt-20 -132.7 168.97 17.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -90.29 170.21 10.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.87 115.27 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.69 114.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.8 mm -64.09 134.19 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.53 29.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -41.4 -56.99 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -152.49 157.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 106' ' ' THR . 83.7 t -136.42 113.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.81 170.95 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mt -111.49 107.43 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.22 -46.54 9.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 176.74 176.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.06 123.09 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.6 p90 -130.77 149.77 52.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.01 -118.56 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -111.5 27.21 9.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -127.08 136.28 51.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.0 t -116.92 153.46 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -116.85 119.26 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 89' ' ' PHE . 32.5 mt -102.03 149.68 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.369 1.043 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 27' ' ' GLU . 1.2 p -149.41 110.0 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 74' ' ' THR . 49.3 p90 -121.85 151.38 40.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 p -92.84 162.06 29.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.41 25.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.508 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 19.7 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -78.64 -37.27 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . -179.97 -145.73 6.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 98.2 m-85 -163.04 124.85 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 54' ' ' ILE . 17.5 m -90.32 150.8 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 38' ' ' TRP . 2.7 mp -132.88 145.17 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -143.57 143.8 31.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -112.2 144.47 41.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -133.69 137.08 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 168.63 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -91.21 22.75 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -41.43 5.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -130.67 -41.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.1 mtp 65.42 27.76 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -85.57 7.84 21.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 88' ' ' TYR . 42.1 m95 50.04 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 25.7 m-85 -168.05 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -166.86 151.04 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.95 -46.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.55 139.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.7 mm-40 -133.51 128.97 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 15.4 m-70 76.56 54.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.648 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -89.57 -179.97 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.8 -72.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 176.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 26.7 p -110.88 11.15 22.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.33 137.93 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.01 139.57 21.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -90.22 132.52 35.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 89' ' ' PHE . 5.7 mm -89.82 164.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.8 p -141.5 -172.89 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 42.81 77.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -133.38 127.3 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.498 HG12 ' ND2' ' A' ' 85' ' ' ASN . 7.6 p -74.01 138.25 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.0 mt -78.81 132.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.79 21.32 40.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.498 ' ND2' HG12 ' A' ' 82' ' ' VAL . 1.7 m-20 -131.91 170.11 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -119.07 166.4 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.429 ' OH ' ' CG1' ' A' ' 82' ' ' VAL . 94.0 m-85 -150.88 171.58 17.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.4 m-85 -137.88 138.33 38.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' HG11 ' A' ' 34' ' ' VAL . 50.8 m-85 -119.02 155.19 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.555 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 11.7 mtm180 -152.37 124.55 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 38' ' ' TRP . 95.7 t -97.77 134.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 38.7 m-85 -120.88 124.2 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -63.79 106.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 162.28 27.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.2 178.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.4 ptp -67.25 -25.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.96 -45.67 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -132.62 3.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 92' ' ' PHE . 3.9 mm? -106.28 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -83.84 128.16 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -44.68 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.99 152.62 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -128.35 143.52 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -88.91 110.24 20.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.44 145.39 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.426 ' CG2' HG11 ' A' ' 24' ' ' VAL . 12.4 p -51.78 121.48 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -30.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -132.59 159.51 39.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -89.21 174.78 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.66 120.67 35.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.6 128.65 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.1 mm -83.21 127.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.6 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.599 1.842 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 150.26 37.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -45.62 -46.53 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -166.26 163.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.38 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' HD11 ' A' ' 23' ' ' ILE . 99.0 t -139.1 114.41 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -124.34 173.54 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -117.78 101.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' CG ' ' CG2' ' A' ' 37' ' ' THR . 0.1 OUTLIER -38.84 -41.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.97 179.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' ' 112' ' ' ILE . 2.5 p -147.28 122.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -132.16 150.2 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.08 -119.99 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -111.98 33.18 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -134.04 124.22 25.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -104.8 151.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -116.77 120.38 38.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' A' ' 89' ' ' PHE . 9.9 mt -105.7 152.04 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.45 ' CG2' ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.33 106.65 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CE3' ' O ' ' A' ' 74' ' ' THR . 31.0 p90 -116.28 158.65 23.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.3 p -107.71 155.93 38.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.73 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.424 1.749 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 151.44 39.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 51' ' ' GLY . 4.1 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -72.43 -24.11 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' ILE . . . -179.63 -163.81 30.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 45.8 m-85 -143.65 122.53 12.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -85.55 132.15 34.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.02 144.68 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -141.57 140.57 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.23 148.53 33.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.49 147.54 25.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.9 178.92 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 14.71 10.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -69.05 -50.98 43.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 31.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 47.27 50.94 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 14.2 mt-10 -98.57 136.13 39.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.434 ' CD2' ' HB1' ' A' ' 57' ' ' ALA . 13.6 m95 -113.44 154.64 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.49 22.64 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m 60.95 144.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.09 -43.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 155.67 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -137.35 141.35 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.454 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 4.9 m170 47.19 66.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -86.3 -167.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ARG . 47.3 t-80 -129.52 -75.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -51.42 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.243 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.566 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 4.7 p -116.87 -0.1 12.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.55 139.12 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.01 139.09 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.0 m -97.59 123.68 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.28 156.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 p -136.65 -178.32 5.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 50.93 71.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.36 137.58 47.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.3 128.23 42.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.87 130.11 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.64 45.27 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -163.53 158.24 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.24 142.05 47.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 10.0 m-85 -131.84 171.82 13.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -126.7 153.75 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CG ' HD12 ' A' ' 36' ' ' LEU . 53.0 m-85 -131.15 135.04 47.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tmm_? -126.77 125.39 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.8 t -106.32 125.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 3.9 m-85 -96.18 -173.77 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 m -130.64 94.64 3.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.454 ' OE2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 mm-40 -69.22 163.79 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.73 -170.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.75 40.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.92 -64.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.77 -146.63 6.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.28 152.98 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 19.4 p -80.38 127.2 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.16 -26.1 67.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.9 133.23 44.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.538 ' CB ' ' CG ' ' A' ' 90' ' ' ARG . . . -131.5 153.87 49.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 m -105.52 98.33 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.2 ttm -74.01 137.27 43.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.9 p -40.42 121.58 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -128.93 154.24 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.0 p -78.3 173.17 12.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.03 125.63 46.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 120.47 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 29' ' ' VAL . 21.4 mm -73.48 144.96 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 112' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 173.71 14.01 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.59 29.14 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -40.71 -58.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -149.61 161.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' HD11 ' A' ' 23' ' ' ILE . 71.9 t -137.67 116.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.07 172.81 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . 3.5 mt -113.4 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -38.74 -46.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.221 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.3 178.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -147.45 122.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' GLY . 40.8 p90 -127.97 148.16 50.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.07 -120.84 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -106.78 37.2 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -135.59 138.59 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.3 148.1 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -115.96 119.74 36.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' SER . 10.0 mt -104.94 150.6 24.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 HG22 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.19 115.22 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.604 ' CH2' ' C ' ' A' ' 75' ' ' SER . 45.3 p90 -123.75 149.59 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 108.053 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -91.62 159.93 37.59 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.15 35.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.411 1.742 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.63 24.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.409 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 3.2 mp . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' ' CE1' ' A' ' 72' ' ' HIS . 19.4 m -92.43 -55.78 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.94 -179.96 18.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 79.9 m-85 -134.23 124.0 25.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 0.812 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -91.0 120.57 32.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -106.92 155.46 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' CG ' ' C ' ' A' ' 54' ' ' ILE . 7.4 mt-30 -153.28 155.18 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -128.48 150.16 50.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.45 120.15 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -70.74 178.34 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.92 20.59 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -46.08 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.0 m -120.49 -33.88 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.23 26.18 5.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.65 138.92 39.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.48 ' CD1' ' CZ ' ' A' ' 90' ' ' ARG . 44.8 m95 -88.49 131.68 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -120.8 26.01 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m 62.93 137.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 t -121.75 -45.21 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.37 155.92 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.8 mt-10 -140.4 152.37 45.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.7 m-70 52.39 57.22 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.533 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.46 129.22 50.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 50' ' ' THR . 16.6 m-70 -87.23 -104.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER 36.1 -158.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -144.78 20.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.604 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 1.3 p -160.06 177.93 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.9 142.38 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.5 m -107.88 111.96 24.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.525 HG13 ' CE1' ' A' ' 89' ' ' PHE . 8.5 mm -82.08 145.09 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -130.92 -178.34 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.56 65.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.51 150.88 40.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -100.62 133.13 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.46 144.91 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.65 46.8 6.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -167.74 163.13 14.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.71 148.34 42.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 36.8 m-85 -133.68 157.51 45.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 13.8 m-85 -109.19 159.72 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CE1' HG13 ' A' ' 78' ' ' ILE . 42.4 m-85 -149.77 134.88 18.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' CD1' ' A' ' 64' ' ' TRP . 36.7 ptt180 -137.98 130.79 29.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.6 1.187 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.563 HG22 ' CE3' ' A' ' 38' ' ' TRP . 85.4 t -101.11 129.52 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 1.9 m-85 -105.08 174.82 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.8 m -119.84 119.34 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.0 173.34 6.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 172.42 -72.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.8 -59.63 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.55 -128.05 2.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 1.3 mm? -102.37 156.96 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.6 p -73.26 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -33.6 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.99 148.46 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -120.59 154.4 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -89.55 99.07 12.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.541 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -82.02 152.32 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.8 p -59.63 123.0 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -40.53 -31.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -140.35 165.73 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 p -88.02 167.38 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 120.28 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -85.8 122.21 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -79.61 141.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.362 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -54.6 40.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -157.02 151.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -131.7 111.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 173.54 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -112.7 107.68 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -42.41 -47.49 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.237 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 177.78 178.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 34' ' ' VAL . 2.3 p -148.14 123.33 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -130.38 145.83 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.34 -118.99 1.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.33 33.78 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -131.87 130.57 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG2' HG21 ' A' ' 29' ' ' VAL . 2.1 t -113.54 147.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -111.68 118.51 35.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.9 mt -97.04 147.19 24.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.61 115.04 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CD1' HG11 ' A' ' 91' ' ' VAL . 46.3 p90 -131.36 152.3 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 6.9 p -97.47 157.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 119.81 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -87.64 -51.63 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 -153.46 6.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -152.05 119.6 6.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 0.723 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -87.74 142.29 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -119.72 155.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -149.07 133.75 17.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -111.39 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.37 146.39 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' OD1' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -100.28 168.95 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 28.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -34.86 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.4 OUTLIER -169.54 31.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 0.0 110.047 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' SER . 24.7 ttm 34.39 55.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.11 112.7 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -91.68 118.44 30.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.97 117.34 26.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 m -38.16 109.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 9.5 t -86.99 -48.44 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -150.82 137.72 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 mt-10 -110.29 138.0 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.5 p80 40.51 75.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.56 -165.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.86 -72.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 165.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.061 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.434 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 10.9 p -98.76 0.79 45.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.1 142.52 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.31 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.5 m -117.0 106.38 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 mm -73.8 142.01 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -131.38 177.34 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.8 59.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.51 140.18 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.7 129.25 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mt -70.83 122.3 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.89 48.73 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -170.83 160.69 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.53 163.11 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE1' ' OD1' ' A' ' 58' ' ' ASP . 92.9 m-85 -147.64 153.08 38.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 34.6 m-85 -114.51 152.4 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 4.6 m-85 -145.65 156.24 43.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 38' ' ' TRP . 71.5 t -99.05 147.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -112.17 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.2 m -126.07 91.11 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.98 148.92 48.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 2.9 p-10 -167.44 176.47 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.74 24.58 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -122.67 -50.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.404 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . 161.41 151.0 6.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.55 159.73 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 p -72.39 132.13 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -37.1 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.82 154.59 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.35 153.98 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -77.52 99.99 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.3 ttp -78.88 144.77 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.4 p -55.9 119.31 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -30.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.33 -178.4 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 p -112.05 166.5 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 115.69 27.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.8 t -101.1 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.7 mm -78.89 124.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 173.99 13.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.76 28.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.752 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -43.11 -60.73 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.47 160.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.45 ' N ' HD11 ' A' ' 23' ' ' ILE . 53.7 t -134.5 115.79 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' THR . 3.3 ptpt -127.63 167.79 15.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -110.37 110.21 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -45.63 -45.59 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.24 178.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.21 122.99 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLY . 22.9 p90 -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.22 -119.57 0.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -106.37 39.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -139.37 131.74 28.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 35' ' ' ALA . 2.2 t -116.53 149.99 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -115.2 120.57 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 89' ' ' PHE . 22.6 mt -103.63 146.87 27.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.3 p -149.43 113.18 5.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.387 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CD2' HG21 ' A' ' 91' ' ' VAL . 35.4 p90 -119.32 151.67 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.05 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.4 p -92.33 161.39 32.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 162.14 37.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.578 1.83 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.87 31.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 52' ' ' TYR . 4.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -49.22 -49.6 42.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -170.39 -134.4 1.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 51' ' ' GLY . 29.9 m-85 -166.97 128.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 99' ' ' LEU . 4.1 m -95.04 121.13 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -107.73 142.71 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -141.09 137.05 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -113.99 150.86 33.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.118 . . . . 0.0 109.222 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.11 122.19 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.51 168.28 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 10.17 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -76.53 -49.38 16.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -147.09 19.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.445 ' HE2' ' CZ2' ' A' ' 64' ' ' TRP . 0.7 OUTLIER 37.22 48.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -90.52 130.48 36.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 11.6 m95 -105.26 130.1 53.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -137.67 44.29 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m 55.49 166.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -151.25 -44.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CG2' HD13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -146.71 148.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -144.65 135.51 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 72.05 61.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.681 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -111.32 124.18 51.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.26 -41.6 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.508 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 2.3 p -137.17 19.39 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.598 ' O ' ' CE2' ' A' ' 71' ' ' TYR . 2.1 p -138.35 154.5 48.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.48 162.37 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.5 m -132.73 102.2 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 89' ' ' PHE . 4.4 mm -73.96 158.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -139.86 -172.13 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.05 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' A' ' 87' ' ' TYR . 65.8 mt -129.9 148.59 51.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -86.44 133.94 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.8 mt -79.77 120.07 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.63 7.33 34.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.96 167.49 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -110.68 168.01 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE2' HD21 ' A' ' 81' ' ' LEU . 48.2 m-85 -152.75 147.54 26.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -119.89 137.47 54.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 78' ' ' ILE . 15.5 m-85 -129.72 159.32 36.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -153.51 143.3 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.526 HG21 ' CD2' ' A' ' 38' ' ' TRP . 77.5 t -104.69 143.99 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE1' ' HB1' ' A' ' 103' ' ' ALA . 33.3 m-85 -122.3 142.98 49.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.16 125.01 33.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.462 ' CG ' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -119.25 157.74 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -179.39 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -175.95 -37.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.2 p -54.15 -47.66 71.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 123.25 101.49 1.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.557 1.16 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER 33.97 -148.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.724 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 p -138.4 151.29 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -34.37 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.22 169.13 18.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -130.13 123.39 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -58.17 98.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.6 ttm -71.02 149.53 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.434 ' CG2' HD13 ' A' ' 26' ' ' ILE . 13.0 p -51.47 115.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.7 OUTLIER -39.82 -31.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.9 pt-20 -127.08 172.13 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -97.69 174.35 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.069 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -125.02 122.35 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.35 128.45 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.37 146.5 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.8 13.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 165.3 31.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -49.66 74.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -156.92 163.55 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.424 ' N ' HD13 ' A' ' 23' ' ' ILE . 59.7 t -141.15 120.5 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 161.61 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . 1.3 mp -100.46 101.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -38.48 -51.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.6 -177.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 3.6 p -140.21 121.26 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ASN . 26.3 p90 -141.03 146.84 37.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 107.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . 44.83 39.57 6.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 mt-10 69.4 6.09 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 30' ' ' TRP . 9.2 m-80 -97.21 119.73 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -96.65 132.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' GLU . . . -100.18 117.62 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 89' ' ' PHE . 24.5 mt -92.08 146.9 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.59 108.8 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.413 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.5 p90 -120.98 152.81 38.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.472 ' CG2' HG21 ' A' ' 23' ' ' ILE . 41.3 p -90.25 161.17 38.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.35 -178.29 45.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.24 129.5 49.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 14.4 m -101.01 128.74 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.22 145.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -151.71 155.06 37.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -111.53 158.48 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -157.77 116.19 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.6 178.31 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 17.59 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -58.34 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -152.15 24.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.468 ' HE3' ' CD2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER 51.12 42.19 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -80.02 133.27 36.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.502 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 54.0 m95 -112.87 129.57 56.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 107.977 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.25 -87.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.84 145.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.53 -44.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 tt -154.04 148.2 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.202 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.74 138.37 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.63 50.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.665 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -89.81 -178.83 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -139.41 -55.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 16.4 p -109.56 -0.9 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.44 148.71 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.11 130.49 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.1 m -87.58 137.7 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 79' ' ' THR . 37.9 mm -100.0 165.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 78' ' ' ILE . 5.4 p -146.05 -179.63 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.188 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 51.77 70.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 46.2 mt -129.08 132.85 47.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -85.74 131.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.37 111.61 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.98 -33.78 2.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -102.67 157.22 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -103.4 167.84 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 57.4 m-85 -151.24 146.72 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.468 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 20.6 m-85 -110.91 156.25 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 31.6 m-85 -137.62 156.67 47.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 40.0 ptt180 -152.46 133.28 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.3 t -107.6 154.14 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE1' ' CB ' ' A' ' 103' ' ' ALA . 69.5 m-85 -130.99 -171.92 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -138.99 92.79 2.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.472 1.107 . . . . 0.0 110.063 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.74 162.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 97' ' ' CYS . 5.3 p30 -177.64 -157.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.2 ptp -89.68 31.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.8 t -136.46 -58.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 138.44 97.64 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.527 ' C ' ' O ' ' A' ' 98' ' ' GLY . 2.6 mp 30.25 -140.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.96 142.41 44.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.405 1.066 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -30.36 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.91 154.65 50.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 92' ' ' PHE . . . -126.38 153.7 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.2 m -85.51 99.04 10.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.445 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ttp -76.74 162.34 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 108' ' ' GLU . 35.1 p -74.78 124.06 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -32.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 106' ' ' THR . 68.6 mt-10 -145.11 166.91 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 p -88.44 172.66 9.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.84 29.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.34 109.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.8 mm -58.64 139.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.81 13.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.06 42.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.9 -54.6 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.67 163.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' N ' HD11 ' A' ' 23' ' ' ILE . 61.7 t -140.49 115.76 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -126.15 170.15 12.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' CG1' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -112.89 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.64 -43.43 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 172.09 177.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 112' ' ' ILE . 2.1 p -147.47 122.72 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.5 p90 -129.71 147.67 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.46 -121.56 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -107.13 40.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 0.764 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -140.09 131.56 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -115.17 146.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -113.42 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 89' ' ' PHE . 23.3 mt -104.79 151.23 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.5 108.13 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.6 p90 -118.93 154.07 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 p -95.8 161.05 28.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.23 23.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.531 1.806 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.65 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -69.1 -58.54 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.91 18.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -131.77 137.26 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -87.95 141.63 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.77 141.55 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -141.37 150.55 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 38.0 mtmt -121.77 158.57 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.73 157.29 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' OD1' ' CE2' ' A' ' 87' ' ' TYR . 1.7 m-20 -101.05 173.89 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 19.31 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -36.55 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 m -116.99 -31.01 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 84.4 mmm 62.45 15.97 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.11 122.35 14.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 89.5 m95 -91.38 117.03 29.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 108.082 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.3 134.83 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.2 m -61.58 117.17 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.428 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 87.9 t -88.5 -48.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -153.72 163.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 2.4 mt-10 -139.39 150.59 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 1.3 m-70 44.57 66.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.23 -174.25 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.078 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.15 -73.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.646 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -173.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 48.8 p -114.61 -4.28 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.0 143.57 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.32 128.79 10.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -76.89 137.51 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 40.2 mm -100.27 162.0 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 p -140.42 -175.65 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.08 . . . . 0.0 110.385 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 51.76 73.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -138.64 125.34 20.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 83' ' ' ILE . 8.9 p -78.95 145.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.456 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 70.1 mt -87.38 99.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.86 -24.34 2.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -104.92 165.23 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -124.45 157.56 34.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE2' ' OD1' ' A' ' 58' ' ' ASP . 32.3 m-85 -139.15 168.28 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -119.34 158.08 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CB ' HD21 ' A' ' 36' ' ' LEU . 32.3 m-85 -136.02 144.83 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CH2' ' A' ' 64' ' ' TRP . 18.7 mtp85 -143.32 118.57 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.5 t -98.97 138.38 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 7.6 m-85 -117.55 175.17 5.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.4 m -115.35 130.18 56.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.99 159.75 24.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.78 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 22.4 mtt -149.34 -53.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.47 -130.3 2.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -101.06 139.24 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p -55.37 121.17 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -48.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.2 149.9 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.185 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -123.57 140.58 52.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -82.61 102.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.15 140.35 35.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -45.83 124.26 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.11 -35.07 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.45 165.45 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -92.11 172.4 8.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.8 116.57 29.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.79 108.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 29' ' ' VAL . 13.1 mm -58.47 120.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.48 24.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -60.91 -43.35 98.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -168.24 160.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 23' ' ' ILE . 67.5 t -136.84 112.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -121.32 172.75 7.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -114.97 109.15 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -47.31 -46.55 25.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t0 174.38 179.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.01 129.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -134.84 151.25 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.62 -118.65 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -110.41 34.24 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -131.1 150.83 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 35' ' ' ALA . 2.1 t -130.04 152.41 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -119.23 118.58 31.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 89' ' ' PHE . 8.5 mt -101.96 152.23 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -149.55 107.81 3.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.43 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 74' ' ' THR . 45.9 p90 -114.81 161.06 18.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 15.6 p -103.48 159.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.23 23.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.419 1.747 . . . . 0.0 111.041 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.77 35.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -44.08 -43.94 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . 179.35 -156.36 18.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 6.1 m-85 -143.15 114.11 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -81.91 134.48 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -116.42 142.03 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -142.86 141.32 31.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -114.39 158.14 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.27 161.99 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.41 177.85 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 18.82 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -149.4 20.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.1 mmm 56.97 36.95 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.91 128.62 36.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 73.6 m95 -107.92 132.73 53.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.062 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -131.53 117.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 98.3 m -37.58 123.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 -45.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -155.1 135.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.2 mm-40 -125.79 139.26 53.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 6.3 m-70 64.95 55.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.638 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE1' HD11 ' A' ' 68' ' ' ILE . 1.7 t80 -85.42 -165.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -140.98 -70.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.559 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 173.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 38.7 p -106.93 6.87 29.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.33 146.34 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.23 133.75 14.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.3 m -82.52 130.19 35.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.28 166.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 9.0 t -155.21 -152.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.5 OUTLIER 48.85 42.69 20.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.11 142.82 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.93 108.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.4 mt -42.49 148.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.06 52.78 5.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -175.04 163.84 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.68 141.02 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -129.11 155.93 44.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 37.0 m-85 -109.99 174.88 5.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 52.2 m-85 -159.79 142.53 13.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -141.93 121.08 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 94.7 t -97.24 132.57 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 19.8 m-85 -103.92 -172.26 2.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 m -129.64 97.6 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.944 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.72 157.27 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 9.5 p-10 172.78 -174.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.6 mmt -47.79 -43.98 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -76.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.34 -124.4 1.16 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 2.1 mm? -97.86 129.16 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 0.757 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 9.3 p -44.62 147.77 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 100' ' ' SER . 25.1 t70 -162.82 171.82 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.555 ' HB1' ' CD1' ' A' ' 92' ' ' PHE . . . -125.42 146.79 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -74.16 104.78 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.553 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 2.4 ttp -81.23 138.87 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -50.64 121.67 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -33.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.2 -178.71 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.4 p -107.8 165.29 11.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.49 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.75 122.15 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.196 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.9 mm -75.35 138.81 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.85 13.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.12 33.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.449 1.762 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.34 -56.88 16.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.407 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -152.18 158.51 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' CG2' ' A' ' 106' ' ' THR . 36.7 t -138.38 115.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.26 174.81 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.518 ' CD1' ' CD2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -114.47 107.63 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -45.07 -48.17 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.37 177.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.062 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.48 122.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -127.09 131.47 50.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 45.78 -115.56 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.02 33.57 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -133.04 130.35 39.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -117.86 149.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' GLU . . . -117.2 115.6 25.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 89' ' ' PHE . 6.5 mt -98.92 153.14 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -150.24 106.94 3.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CD1' HG12 ' A' ' 91' ' ' VAL . 47.0 p90 -117.57 149.91 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.0 p -95.88 156.92 36.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.82 15.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.78 41.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.6 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -55.07 -49.17 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -163.26 -148.73 5.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.08 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 3.9 m-85 -154.19 122.53 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 0.706 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.8 m -87.11 130.44 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.69 140.94 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -147.21 140.59 25.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -114.33 167.86 10.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -157.58 125.46 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 165.12 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 24.59 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -100.37 -44.91 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' MET . 49.5 m -134.18 8.31 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.061 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' SER . 6.4 mtp 36.55 46.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 39.3 mt-10 -96.29 141.82 29.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.444 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 60.1 m95 -107.02 137.42 45.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -121.53 -86.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.4 112.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.6 t -88.9 -46.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -152.75 156.52 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.5 mm-40 -134.1 142.25 47.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 9.5 p80 44.79 71.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.12 -155.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -142.92 -71.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.7 p -116.7 -0.3 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 143.41 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.18 144.75 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 m -95.12 135.86 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.27 142.75 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -122.82 171.87 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 59.6 66.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.1 mt -129.99 127.73 40.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.419 HG13 ' ND2' ' A' ' 85' ' ' ASN . 7.7 p -79.73 140.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 77.6 mt -82.28 101.43 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.92 -27.08 2.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' ND2' HG13 ' A' ' 82' ' ' VAL . 87.4 m-20 -99.21 154.71 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 153.61 23.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 110.382 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.411 ' OH ' ' CG1' ' A' ' 82' ' ' VAL . 92.0 m-85 -139.41 154.17 47.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 22.7 m-85 -108.48 172.17 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CD1' HD12 ' A' ' 36' ' ' LEU . 30.4 m-85 -154.06 142.24 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 29.6 ptt180 -141.35 119.86 12.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG12 ' CD1' ' A' ' 38' ' ' TRP . 96.5 t -97.06 141.88 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 37.4 m-85 -113.24 -171.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 19' ' ' GLY . 69.2 m -128.46 97.97 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 155.75 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 176.82 -176.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -25.81 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -66.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.7 -132.71 2.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.89 135.0 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 t -43.21 136.93 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.55 -40.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.0 172.79 12.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -131.54 129.52 41.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 m -66.21 100.99 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.401 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 2.9 tmm? -80.39 151.24 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.49 ' CG2' HG13 ' A' ' 24' ' ' VAL . 32.6 p -81.18 101.8 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -22.5 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.52 -35.21 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t 65.08 171.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.64 116.05 25.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 t -94.03 102.89 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 83' ' ' ILE . 12.1 mm -52.68 146.98 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.075 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.1 42.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -42.93 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -171.99 163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' HD13 ' A' ' 23' ' ' ILE . 78.0 t -140.14 119.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.212 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 1.7 mtmt -128.42 170.99 12.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.158 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -116.33 103.46 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.84 -46.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 171.63 178.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.01 122.31 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.0 p90 -129.61 153.91 47.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 35.76 -120.28 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.89 44.63 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.803 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -143.36 137.46 28.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 81' ' ' LEU . 1.9 t -117.82 147.03 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -116.51 117.33 29.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.0 mt -104.49 152.15 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.82 110.64 4.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 33.5 p90 -118.9 150.48 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.061 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 23' ' ' ILE . 41.7 p -95.8 160.37 30.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.77 30.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 138.47 23.27 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.372 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -39.03 -46.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.9 -159.87 16.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -136.51 122.46 20.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.424 ' CB ' HD12 ' A' ' 99' ' ' LEU . 20.7 m -81.78 156.37 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.561 ' CG2' ' CE ' ' A' ' 56' ' ' LYS . 3.1 mt -134.77 156.36 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -156.25 131.04 9.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.561 ' CE ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -117.9 156.58 28.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -154.75 144.44 21.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.23 165.14 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.38 26.32 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -40.94 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -117.55 -23.19 7.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.3 mtp 60.84 24.71 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 53.0 mt-10 -79.49 138.37 37.53 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -107.89 129.3 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 107.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.0 p90 -134.41 119.66 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 69' ' ' GLU . 92.4 m -38.52 118.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.46 -35.96 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -157.44 157.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 66' ' ' THR . 5.8 mt-10 -144.44 152.88 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 70' ' ' HIS . 6.4 m170 52.29 61.26 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.632 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -103.22 122.86 45.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.23 -58.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.493 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 46.8 p -136.36 26.45 3.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.55 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 2.0 p -151.96 155.0 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.35 157.89 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -114.46 106.47 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 HD12 ' CD ' ' A' ' 56' ' ' LYS . 12.8 mm -79.3 159.51 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.8 t -143.48 -155.56 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.3 mt-10 42.96 46.95 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 87' ' ' TYR . 69.7 mt -106.34 140.34 39.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.419 HG13 ' ND2' ' A' ' 85' ' ' ASN . 8.6 p -97.67 139.77 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.0 mt -84.58 101.98 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.46 -13.44 3.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' ND2' HG13 ' A' ' 82' ' ' VAL . 95.9 m-20 -115.56 155.64 27.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 167.54 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CD2' HD22 ' A' ' 81' ' ' LEU . 97.5 m-85 -154.23 155.4 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.4 m-85 -110.74 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.561 ' CD2' ' CG ' ' A' ' 56' ' ' LYS . 19.3 m-85 -158.92 149.69 19.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -157.36 132.21 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.23 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG13 ' CD1' ' A' ' 38' ' ' TRP . 92.8 t -104.7 139.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' N ' HG11 ' A' ' 91' ' ' VAL . 44.0 m-85 -103.07 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -127.34 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 142.92 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -164.82 -167.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -57.96 -45.59 86.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.7 m -61.24 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.254 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.47 -124.8 0.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 53' ' ' THR . 3.7 mm? -102.18 163.74 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -79.83 137.12 36.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -33.89 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -137.84 157.22 46.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.52 149.75 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -78.64 102.34 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.77 134.44 33.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 108' ' ' GLU . 54.6 p -45.0 120.83 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.68 -30.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' THR . 41.0 mt-10 -133.58 175.4 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -99.44 169.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.12 115.07 28.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.02 109.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 81' ' ' LEU . 21.8 mm -63.25 142.58 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.21 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.65 14.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.44 24.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -38.08 -51.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -158.09 161.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' HD13 ' A' ' 23' ' ' ILE . 22.2 t -137.52 118.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -126.53 170.82 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.413 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.9 mt -114.71 109.81 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' CG ' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -46.46 -42.74 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.23 179.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -147.41 122.66 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 38.4 p90 -133.91 157.93 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 107.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.6 -122.1 1.24 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.69 43.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 3.3 p30 -142.01 146.88 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 89' ' ' PHE . 1.4 t -122.83 138.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -104.69 117.37 33.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 89' ' ' PHE . 9.1 mt -103.42 152.57 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.8 109.71 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 74' ' ' THR . 43.9 p90 -118.07 148.08 42.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' HG21 ' A' ' 23' ' ' ILE . 48.1 p -91.36 160.84 36.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 156.88 42.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 154.16 41.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -49.39 -61.55 2.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.47 -156.9 9.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -139.03 150.28 45.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 m -110.53 140.88 44.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.92 147.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -148.52 132.28 16.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -111.03 154.55 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.8 168.21 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' CG ' ' CE1' ' A' ' 87' ' ' TYR . 1.9 t0 -124.77 176.36 6.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 18.86 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -80.15 -52.38 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -155.56 24.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.9 mmm 51.15 36.97 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.12 131.26 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.431 ' NE1' ' NH2' ' A' ' 90' ' ' ARG . 85.7 m95 -103.83 130.93 51.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.45 107.58 10.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -38.89 113.13 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.4 t -83.82 -42.69 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -159.45 167.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.3 mm-40 -139.71 146.66 39.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 3.8 m-70 47.67 67.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.92 177.9 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -67.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 171.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 23.7 p -110.6 10.57 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -140.26 144.33 36.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.72 135.01 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.4 m -88.62 130.1 35.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.6 mm -92.06 162.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 1.2 t -136.14 -173.74 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.581 ' N ' ' OG1' ' A' ' 79' ' ' THR . 23.9 mt-10 55.39 54.29 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -117.69 132.57 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.82 140.44 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 113' ' ' ALA . 83.1 mt -81.23 100.49 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.71 -34.0 1.72 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -95.4 160.56 14.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.17 167.71 9.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CE1' ' CG ' ' A' ' 58' ' ' ASP . 96.7 m-85 -152.4 151.01 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.531 ' CD1' ' HE3' ' A' ' 105' ' ' MET . 32.2 m-85 -110.12 177.95 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.083 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 48.7 m-85 -160.16 155.84 25.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.593 1.183 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' NH2' ' NE1' ' A' ' 64' ' ' TRP . 52.8 mtm180 -156.96 125.46 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.83 129.5 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 10.5 m-85 -116.32 128.98 56.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.4 m -68.72 149.26 49.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 165.39 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.73 -67.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.31 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.6 m -59.24 -54.48 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 108.278 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.47 -141.71 6.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.39 172.17 8.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.0 p -80.42 130.96 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -42.15 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.78 152.72 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -129.59 145.96 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 55.2 m -95.64 106.51 18.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.531 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -88.82 146.65 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLU . 40.6 p -52.49 124.31 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -29.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 12.2 mt-10 -140.99 164.06 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -85.17 173.08 10.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.2 117.29 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.19 144.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.207 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.48 128.69 4.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -166.43 165.49 17.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.07 -166.97 12.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -177.86 120.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.773 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.02 130.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.25 117.25 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.57 152.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -141.56 66.13 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.4 tt -162.12 146.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 109.225 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.61 87.4 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.082 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.85 82.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -101.69 87.17 3.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -119.73 96.45 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 HG22 ' OD1' ' A' ' 46' ' ' ASN . 2.4 pp -66.44 146.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 t0 175.15 159.52 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 101' ' ' GLU . 13.2 mtp180 -44.1 136.29 3.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 140.1 25.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.02 177.14 52.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.27 16.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 148.67 35.85 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.779 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' OE1' ' CE ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -43.55 -46.81 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -161.58 165.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' N ' HD11 ' A' ' 23' ' ' ILE . 92.5 t -140.95 119.52 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.49 175.41 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.33 108.26 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -45.69 -47.06 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 t0 172.83 -179.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 p -147.29 125.56 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 35.7 p90 -136.68 158.56 44.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.81 -120.85 0.89 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.16 41.87 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 6.4 p30 -142.78 145.23 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.58 145.81 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLU . . . -111.19 117.13 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mt -101.93 153.89 19.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -148.02 108.32 4.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.8 p90 -116.29 151.93 34.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.057 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' HG22 ' A' ' 23' ' ' ILE . 39.8 p -94.05 160.78 31.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.6 30.9 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.71 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' CE ' ' OE1' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -93.97 -8.56 39.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -87.49 -71.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ASP . 29.9 t0 39.66 58.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.0 74.75 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' OD1' HG22 ' A' ' 15' ' ' ILE . 5.0 t-20 178.51 -65.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.234 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . . . -136.1 118.46 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' THR . . . -40.18 110.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mp -47.04 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ALA . 1.3 m -47.74 -53.35 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -175.48 -144.99 5.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 57.3 m-85 -155.05 121.95 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -81.89 131.02 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -108.53 144.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' HG21 ' A' ' 54' ' ' ILE . 85.5 mt-30 -139.51 128.82 24.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -110.9 150.48 29.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.7 154.13 33.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.99 167.19 10.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -91.24 27.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.58 -48.17 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 m -124.51 -2.2 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.0 mtp 45.7 34.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.6 mm-40 -83.93 134.88 34.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -102.66 123.52 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -121.99 116.31 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -39.96 114.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.08 -46.57 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.45 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -156.86 143.69 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.3 mt-10 -126.79 159.15 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.2 m-70 42.02 55.6 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -79.15 -171.4 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -70.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 173.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 39.9 p -104.47 3.3 31.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.36 140.4 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -144.1 139.01 28.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.6 m -92.7 116.68 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.2 mm -75.77 161.77 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 p -139.21 -173.28 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 48.4 65.62 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.4 mt -124.38 135.73 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.88 129.52 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 HD11 ' CG ' ' A' ' 114' ' ' ARG . 96.7 mt -73.32 136.73 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.93 50.3 2.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -176.79 173.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -121.17 164.41 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.19 158.26 40.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 30.5 m-85 -109.33 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 29.7 m-85 -162.13 143.8 10.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.36 138.58 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG21 ' CE3' ' A' ' 38' ' ' TRP . 74.7 t -106.45 129.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 103' ' ' ALA . 9.9 m-85 -102.43 175.33 5.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 m -127.31 124.07 37.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' CG ' HD12 ' A' ' 99' ' ' LEU . 1.4 mt-10 -120.28 179.37 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.0 p30 168.53 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 0.0 109.21 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.68 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -61.67 2.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.03 -140.2 6.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 94' ' ' GLU . 3.1 mm? -94.14 137.9 32.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 0.736 . . . . 0.0 109.227 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 t -54.65 131.44 43.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -52.95 -43.39 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.11 152.08 28.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . . . -131.1 136.8 48.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 44.6 m -77.62 99.32 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.46 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -80.3 137.37 36.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.964 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 108' ' ' GLU . 23.0 p -48.32 121.89 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -40.2 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' THR . 47.1 mt-10 -137.71 173.72 11.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 p -97.25 162.85 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.45 120.78 40.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.3 t -86.52 117.23 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.4 mm -73.76 137.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.51 148.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' CG ' HD11 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -78.53 62.66 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.9 169.58 24.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -161.74 121.88 1.06 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -103.45 119.46 38.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.7 mt -78.27 81.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -87.76 18.17 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 119' ' ' TYR . 6.7 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -148.94 170.5 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 167.97 17.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.05 -168.03 36.09 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.21 169.01 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 110.028 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -66.86 151.04 48.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.08 107.64 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.2 101.34 8.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 t -177.5 137.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pt -89.75 99.25 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ILE . 88.9 m-20 -143.3 166.19 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' ASP . 77.6 mt 38.32 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -96.23 131.91 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.611 ' N ' HD22 ' A' ' 46' ' ' ASN . 1.4 mt -108.21 92.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -50.91 179.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 1.3 t70 81.36 174.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -51.52 153.27 3.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.16 27.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.07 -174.67 34.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.02 13.52 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.485 1.781 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 142.12 27.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -39.85 -54.32 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.72 161.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' HD13 ' A' ' 23' ' ' ILE . 45.0 t -137.21 115.5 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.42 174.3 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CG1' HD23 ' A' ' 36' ' ' LEU . 3.7 mt -118.14 101.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.78 -43.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.94 170.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 34' ' ' VAL . 5.3 p -138.72 122.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -133.26 147.81 51.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.9 -122.73 1.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -107.85 35.23 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -136.61 124.47 22.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 29' ' ' VAL . 1.8 t -108.99 145.58 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.27 120.54 42.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 89' ' ' PHE . 12.4 mt -104.54 152.01 22.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.16 107.55 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.2 p90 -116.31 152.04 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 4.1 p -91.31 161.3 35.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.43 37.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.41 32.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -75.47 -7.06 53.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.26 115.41 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.96 91.93 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.48 -40.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.611 HD22 ' N ' ' A' ' 14' ' ' ILE . 5.6 m120 -50.28 -51.02 48.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . . . -131.14 109.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.43 113.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.479 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mt -71.9 93.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -58.93 5.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 71' ' ' TYR . . . -158.08 -161.65 11.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 98.8 m-85 -138.21 132.84 32.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 0.72 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 68.5 m -100.78 135.56 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 55' ' ' GLN . 2.7 mp -117.86 143.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' HG22 ' A' ' 54' ' ' ILE . 17.0 mt-30 -143.67 144.18 31.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' CB ' ' CD2' ' A' ' 64' ' ' TRP . . . -157.21 126.44 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.15 162.0 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 26.58 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -99.14 -43.27 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 4.1 m -141.58 14.98 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 mtp 41.26 43.69 2.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.8 mt-10 -94.9 132.62 39.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.577 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 1.9 m95 -111.6 151.89 28.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 108.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -140.24 -83.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -169.0 145.47 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 78' ' ' ILE . 53.2 t -126.38 -44.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.93 149.87 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.9 mt-10 -139.36 142.06 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.506 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 4.9 m-70 63.97 57.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 51' ' ' GLY . 1.7 t80 -99.95 168.8 9.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -126.45 -62.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.46 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 13.9 p -104.11 -0.12 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 144.38 44.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.08 135.18 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.2 m -87.11 115.15 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 67' ' ' VAL . 4.1 mm -74.21 153.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -136.45 176.45 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 59.33 60.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.33 142.49 50.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.4 t -94.62 134.02 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.18 124.15 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.67 35.68 2.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -164.08 175.8 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -123.87 165.17 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.06 159.77 41.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.483 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 28.7 m-85 -109.36 172.85 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CB ' HD21 ' A' ' 36' ' ' LEU . 73.2 m-85 -158.4 147.72 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -152.37 130.9 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 38' ' ' TRP . 69.9 t -97.49 148.25 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HB1' ' A' ' 103' ' ' ALA . 38.3 m-85 -122.84 142.0 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -91.08 104.66 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 53' ' ' THR . 0.9 OUTLIER -89.75 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 95' ' ' ASN . 0.1 OUTLIER 177.97 -164.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -81.81 55.71 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.46 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.79 166.11 31.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.393 1.058 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.43 165.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.99 165.65 23.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -21.03 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -156.02 171.46 20.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.573 ' HB1' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.89 134.06 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.3 m -64.3 100.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 1.2 ttm -82.51 141.39 32.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 108' ' ' GLU . 31.9 p -51.69 123.66 10.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -30.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 106' ' ' THR . 15.4 pt-20 -127.54 179.35 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 p -107.56 170.57 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.49 119.35 39.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.3 t -90.54 120.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.84 151.94 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.31 151.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -94.11 88.06 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -170.17 126.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -130.17 87.52 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 118' ' ' ILE . 1.4 pttp -148.42 175.67 10.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER 61.96 130.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -144.27 124.33 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.94 . . . . . . . . 0 0 . 1 . 003 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 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p 48.23 92.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -65.98 149.93 49.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.12 165.54 16.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -135.15 -58.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.064 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -145.81 153.01 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.54 90.29 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.08 90.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.372 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.88 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.39 68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -114.58 102.41 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.35 83.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -88.51 140.45 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -124.23 99.68 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.3 pt -56.79 152.73 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 162.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -45.27 170.19 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.69 5.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.11 151.56 38.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.98 13.59 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 142.42 27.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -46.1 -61.32 1.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -145.47 157.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.83 113.18 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -126.92 174.0 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -113.29 111.69 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -48.54 -44.67 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 174.33 175.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.84 123.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.447 ' CE2' ' CB ' ' A' ' 33' ' ' ASN . 12.2 p90 -125.7 127.43 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.35 -121.45 2.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.51 40.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' CB ' ' CE2' ' A' ' 30' ' ' TRP . 24.5 m-80 -142.57 128.63 19.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 89' ' ' PHE . 2.4 t -119.46 153.66 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -123.25 121.29 35.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' A' ' 89' ' ' PHE . 16.1 mt -104.39 151.5 23.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.432 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.61 111.17 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.402 ' CE2' ' HA ' ' A' ' 74' ' ' THR . 48.1 p90 -122.88 151.54 41.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -96.92 159.29 31.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.53 36.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 146.44 32.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -3.35 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.64 139.03 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -165.96 103.17 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.09 -53.97 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -100.74 105.73 17.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 75.34 91.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' O ' ' ND2' ' A' ' 95' ' ' ASN . . . -58.61 145.12 40.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CG2' ' CZ ' ' A' ' 52' ' ' TYR . 4.5 mp -64.51 109.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -70.07 -60.32 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.9 -161.57 11.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' TYR . 82.4 m-85 -145.4 112.72 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -80.16 136.46 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.82 129.36 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -137.26 146.93 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CE ' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -119.59 154.02 34.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -148.61 120.55 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.78 176.53 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 17.45 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -74.66 -52.32 12.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -150.87 22.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.16 35.36 5.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mt-10 -86.46 132.6 33.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 90' ' ' ARG . 15.6 m95 -107.66 153.8 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 107.958 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' THR . 22.9 m-85 -132.62 -83.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 170.78 138.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.436 ' CG2' ' CE ' ' A' ' 56' ' ' LYS . 2.6 t -118.95 -44.06 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.03 156.9 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mt-10 -142.44 150.43 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 5.0 m-70 63.61 39.88 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.558 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -89.41 137.0 32.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.159 . . . . 0.0 110.918 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -122.06 35.88 4.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.548 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 178.34 4.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.402 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 12.4 p -122.49 10.98 9.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.02 144.52 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -94.19 138.4 32.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.1 mm -103.57 154.14 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -137.02 176.75 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.427 1.079 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.56 64.08 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.3 mt -127.05 128.24 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.432 HG11 ' ND2' ' A' ' 85' ' ' ASN . 7.7 p -79.95 143.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.38 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.418 ' N ' HG21 ' A' ' 82' ' ' VAL . 74.1 mt -86.78 104.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.22 -21.51 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.432 ' ND2' HG11 ' A' ' 82' ' ' VAL . 70.4 m-20 -99.8 156.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.79 153.81 28.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -140.02 170.82 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.467 ' CG ' ' HE2' ' A' ' 105' ' ' MET . 26.2 m-85 -129.06 138.09 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 33.5 m-85 -112.05 138.8 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -142.82 118.6 10.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.82 133.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 86.9 m-85 -111.45 -174.96 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 m -129.55 141.68 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.06 166.41 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER 168.1 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -21.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 m -75.61 -77.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.27 -138.76 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -93.94 144.13 25.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 0.741 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.2 t -53.18 139.14 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -33.88 72.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.092 . . . . 0.0 110.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.29 152.18 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -119.29 140.28 50.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -75.25 99.55 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.467 ' HE2' ' CG ' ' A' ' 88' ' ' TYR . 1.6 ttp -81.07 146.19 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.0 p -58.31 129.23 41.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.447 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.66 -29.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -134.76 -174.84 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 90.9 p -111.52 167.6 10.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.33 118.52 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.97 100.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.1 mm -47.74 144.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 83' ' ' ILE . . . -177.32 150.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.03 62.54 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.29 115.84 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -143.48 53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 127.82 44.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 69.42 131.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.71 145.77 30.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 p 55.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.033 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -139.5 -59.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 131.93 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -168.04 147.32 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.966 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -114.69 -51.97 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.74 80.46 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.67 157.71 19.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 0.746 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.31 109.82 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.75 148.78 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER 62.49 154.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' ASP . 75.4 mt 38.39 85.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.85 123.06 49.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -120.67 97.96 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 pp -50.78 160.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.44 164.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.15 136.82 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.71 42.62 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.91 -156.86 30.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 146.45 32.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -40.55 -57.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -151.85 163.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.2 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' HD11 ' A' ' 23' ' ' ILE . 38.5 t -140.92 114.5 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.4 167.52 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 HD13 ' CB ' ' A' ' 106' ' ' THR . 3.4 mt -110.39 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' CG ' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.56 -45.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.79 176.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.78 124.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 29.7 p90 -137.12 155.93 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.039 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.73 -120.78 2.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -114.71 24.51 11.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.586 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 12.8 p30 -126.87 133.37 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -111.17 154.2 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -117.81 119.51 35.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' A' ' 89' ' ' PHE . 20.3 mt -104.31 151.66 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -149.56 107.57 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.4 p90 -119.15 153.97 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 p -96.0 159.64 31.8 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 144.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -6.03 49.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -127.88 124.51 37.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -164.18 85.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.11 -70.39 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.12 -60.88 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.81 138.66 36.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.39 15.95 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.382 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 4.6 mp 47.41 93.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 p -50.74 -42.48 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.46 -154.73 10.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 42.3 m-85 -145.33 133.96 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -84.32 149.85 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.74 148.94 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -150.85 141.86 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.59 156.7 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -157.68 148.02 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.97 172.33 7.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 22.84 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -44.69 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.08 -25.88 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.4 mmm 61.19 18.05 8.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.53 133.46 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.539 ' CH2' ' HG3' ' A' ' 90' ' ' ARG . 96.0 m95 -93.28 120.73 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -115.51 111.04 20.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -38.63 122.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 95.9 t -93.59 -48.66 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -158.68 157.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -129.29 140.55 51.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 53.67 48.9 20.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -62.68 -176.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.72 -77.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.523 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.65 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 3.0 p -97.6 -7.91 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.01 136.97 54.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.38 151.45 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.3 m -106.53 125.95 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mm -87.87 163.04 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -142.2 -173.23 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 44.1 74.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 87' ' ' TYR . 28.7 mt -131.95 165.38 24.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.82 137.01 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.6 mt -82.87 113.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.96 -17.98 9.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.21 165.98 11.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.38 167.86 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.384 1.052 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CZ ' HD22 ' A' ' 81' ' ' LEU . 45.8 m-85 -148.18 170.15 18.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.457 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 11.2 m-85 -136.82 145.71 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 29.3 m-85 -130.1 158.73 38.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 31.6 mtm180 -157.9 119.03 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.51 134.49 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 33.3 m-85 -116.82 137.58 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -73.09 103.07 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.424 ' OE2' ' CD1' ' A' ' 99' ' ' LEU . 1.9 tm-20 -84.88 151.71 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 40.7 p-10 -168.33 -175.95 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.51 28.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.34 -55.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 161.81 132.48 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.424 ' CD1' ' OE2' ' A' ' 94' ' ' GLU . 3.0 mp -43.39 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -70.84 142.2 51.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.82 62.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 165.55 23.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -131.21 150.69 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.9 m -89.85 99.93 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.369 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -74.01 144.91 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.407 ' CB ' HD13 ' A' ' 26' ' ' ILE . 17.5 p -46.13 119.83 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.84 157.3 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 p -78.27 175.45 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.6 126.19 48.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.61 108.71 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.9 mm -57.02 145.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.68 151.09 5.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -87.85 42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.231 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.88 118.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.66 166.21 23.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 156.53 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.71 -133.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -127.54 19.0 6.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -164.31 -63.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -173.43 168.28 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.44 -95.5 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m 63.08 147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.49 165.4 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.01 -61.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.46 172.06 7.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.403 0.707 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 t -98.91 10.52 41.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.46 112.02 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.6 99.03 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.19 83.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.0 148.84 23.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -126.68 100.94 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 26.3 mt -55.29 155.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 1.2 t0 77.73 176.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.15 155.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.21 19.68 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.527 1.803 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' A' ' 93' ' ' SER . . . 85.18 -162.65 36.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.62 28.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.51 -51.05 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -158.0 159.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' CD1' ' A' ' 23' ' ' ILE . 74.9 t -135.55 113.68 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 172.37 7.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 ' CG1' HD23 ' A' ' 36' ' ' LEU . 4.4 mt -121.27 98.95 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.3 OUTLIER -38.86 -47.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 174.08 179.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.43 123.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' GLY . 27.9 p90 -130.26 148.06 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.27 -120.2 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.34 35.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 110.208 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -135.28 128.88 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.1 t -112.61 148.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -114.29 118.52 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.087 . . . . 0.0 109.41 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 89' ' ' PHE . 11.8 mt -106.74 150.31 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 1.2 p -147.78 106.82 3.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.553 ' CH2' HD11 ' A' ' 54' ' ' ILE . 44.0 p90 -116.87 152.21 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 4.9 p -92.71 157.75 39.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.98 36.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.41 38.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.769 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -83.67 -6.62 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.69 154.07 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 178.06 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.77 -83.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -42.35 -55.05 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.56 80.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.63 121.57 6.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 50' ' ' THR . 3.7 mp -59.01 151.35 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.384 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' HG21 ' A' ' 49' ' ' ILE . 32.1 p -117.26 -46.45 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.35 -167.13 17.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -144.98 128.53 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.5 m -90.76 147.6 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.553 HD11 ' CH2' ' A' ' 38' ' ' TRP . 2.5 mp -129.27 149.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -146.78 156.28 43.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -124.66 154.59 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.28 111.77 2.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -53.94 167.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 24.48 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.14 -49.74 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -120.83 -12.12 8.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.472 ' CG ' ' O ' ' A' ' 61' ' ' SER . 4.7 ptm 45.29 27.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -75.4 130.59 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 43.5 m95 -93.34 119.96 33.07 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.127 . . . . 0.0 107.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -113.16 -69.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 166.36 143.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.5 t -125.22 -44.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -156.26 165.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 4.0 mt-10 -142.05 151.51 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 7.0 p80 39.71 85.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.534 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -111.63 -172.48 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.75 -72.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 176.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.521 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 62.5 p -110.31 11.22 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -141.42 142.52 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.14 143.67 26.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 1.189 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.5 m -93.11 124.97 37.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.534 HG13 ' CE1' ' A' ' 89' ' ' PHE . 10.6 mm -90.53 138.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -118.54 178.14 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.45 60.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -121.79 136.08 54.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.52 132.64 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.89 138.68 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.51 30.35 7.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -164.63 162.43 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.602 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -115.89 164.05 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 12.0 m-85 -148.28 168.21 23.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.5 m-85 -108.63 -175.23 2.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 34' ' ' VAL . 70.8 m-85 -161.62 150.36 15.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.599 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -130.96 158.37 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.1 t -145.25 102.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 18.0 m-85 -80.43 -172.64 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 63.4 m -132.56 91.63 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.37 143.78 52.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.501 ' OD1' ' CB ' ' A' ' 97' ' ' CYS . 5.5 p30 -172.79 148.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.377 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.0 ptp -39.93 -36.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.501 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . 0.1 OUTLIER -65.11 -73.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 169.41 144.57 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 92' ' ' PHE . 2.8 mp -42.81 163.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -81.55 132.26 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -42.06 42.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.25 153.71 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 92' ' ' PHE . . . -131.27 145.14 51.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -71.79 97.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.486 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 1.7 tmm? -82.52 140.58 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.443 ' C ' ' N ' ' A' ' 108' ' ' GLU . 21.0 p -39.94 119.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.59 -30.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 106' ' ' THR . 30.1 mt-10 -129.44 -174.0 3.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.2 t -106.13 163.67 12.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.54 124.18 49.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.5 t -91.22 127.56 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.4 mm -83.32 148.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.88 153.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.13 43.41 1.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.2 147.11 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.46 -125.9 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.582 1.176 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.63 155.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.386 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 mt -96.7 -141.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -132.94 18.04 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -164.91 167.92 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -172.5 161.27 5.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.062 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.09 -156.75 27.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -150.42 158.76 44.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 0.811 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -131.11 169.88 15.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.048 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.75 -72.22 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.79 83.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -43.26 139.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.09 129.96 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -154.2 158.76 40.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -76.18 83.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -91.13 146.27 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ILE . 1.2 mt -128.81 -150.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' HB ' ' CB ' ' A' ' 46' ' ' ASN . 12.7 mm 37.07 73.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -112.66 178.07 4.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 57.88 101.32 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.62 19.98 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.22 -160.17 38.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.47 14.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -51.25 -59.75 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -145.66 161.06 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 ' N ' HD13 ' A' ' 23' ' ' ILE . 83.5 t -136.86 114.78 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.17 175.5 6.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.1 mt -119.04 101.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.36 -44.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.72 178.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.22 122.72 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 38.1 p90 -131.33 148.83 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 107.967 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.13 -119.94 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -109.26 25.46 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -126.64 124.55 40.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 35' ' ' ALA . 2.3 t -107.12 159.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -124.24 120.95 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 89' ' ' PHE . 13.0 mt -104.71 151.78 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.439 HG23 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.58 108.3 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CE2' ' O ' ' A' ' 74' ' ' THR . 48.4 p90 -116.7 152.91 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 23' ' ' ILE . 17.7 p -96.49 159.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.09 34.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -88.13 -6.42 57.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -110.62 95.23 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -142.25 86.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.38 -46.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 3.1 m120 -105.0 49.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.608 0.828 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 178.4 171.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.48 102.94 5.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.5 mp -47.89 114.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -84.03 -37.44 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . 175.43 -141.22 5.6 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 61.0 m-85 -161.02 164.62 30.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.2 m -121.44 150.58 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 55' ' ' GLN . 2.9 mp -129.95 137.84 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' HG23 ' A' ' 54' ' ' ILE . 78.7 mt-30 -146.65 124.78 12.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -111.16 160.9 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.87 160.76 43.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.74 162.95 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 27.18 2.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.652 ' HZ1' ' ND2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -107.3 -41.93 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.5 m -143.86 19.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.5 mtp 37.23 38.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -78.63 122.27 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 90.0 m95 -93.82 125.03 38.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -125.28 115.96 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -41.05 118.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.449 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.15 -50.26 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.97 164.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -149.74 145.38 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.554 ' CD2' ' OE2' ' A' ' 94' ' ' GLU . 6.0 m170 58.2 57.54 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -87.88 -164.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -141.07 -67.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 171.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 23.9 p -105.78 -4.33 20.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.06 139.96 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.9 138.76 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -92.03 121.8 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.67 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -133.16 177.7 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 57.52 65.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.1 mt -129.14 132.78 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -87.49 129.4 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.8 mt -71.56 126.01 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.97 46.19 0.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.652 ' ND2' ' HZ1' ' A' ' 60' ' ' LYS . 14.1 m-20 -173.12 162.69 4.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.58 148.61 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -135.25 153.39 51.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' CG ' ' HE2' ' A' ' 105' ' ' MET . 23.9 m-85 -110.41 169.11 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.483 ' CD1' HD13 ' A' ' 36' ' ' LEU . 68.0 m-85 -151.62 153.44 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.543 ' HD3' ' CH2' ' A' ' 64' ' ' TRP . 27.3 mtp85 -150.23 122.8 8.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 92' ' ' PHE . 57.6 t -110.29 143.16 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 3.6 m-85 -116.17 -160.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.6 m -136.7 122.12 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.554 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -98.28 152.24 19.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 35.5 p-10 -176.34 -163.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -69.83 -35.08 74.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.449 ' N ' ' SD ' ' A' ' 96' ' ' MET . 7.2 t -69.08 -74.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.221 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 170.62 -152.61 19.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -159.91 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 p -117.24 148.32 41.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -31.01 65.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -135.82 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -131.61 152.37 50.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -87.56 100.88 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.158 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.473 ' HE2' ' CG ' ' A' ' 88' ' ' TYR . 1.2 ttm -83.11 144.02 30.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 108' ' ' GLU . 71.7 p -51.14 125.56 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -29.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 106' ' ' THR . 36.3 mt-10 -139.07 169.0 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.3 p -91.0 171.29 9.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.5 121.37 45.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -86.8 111.98 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.6 141.53 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -162.91 159.15 23.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 42.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.33 154.06 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.0 -76.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.14 -173.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.7 mt -107.3 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.95 17.73 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.11 90.56 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -122.41 142.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 69.49 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.133 . . . . 0.0 111.06 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -113.18 97.1 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.0 p -130.92 143.66 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.81 -166.9 18.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.1 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.91 133.23 56.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -59.61 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -129.85 56.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 53.78 93.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -74.78 83.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.97 124.62 45.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -127.45 101.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -68.99 111.35 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.01 157.26 11.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.373 1.046 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -44.29 142.3 2.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 144.54 30.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 -167.72 42.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.47 33.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.397 1.735 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -39.68 -56.57 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.07 162.74 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 23' ' ' ILE . 49.9 t -141.82 113.04 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 171.19 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.8 mt -114.97 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.95 -44.33 14.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 173.78 178.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 34' ' ' VAL . 2.4 p -147.58 123.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -128.41 141.17 51.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.87 -120.75 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.087 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.37 28.83 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -128.55 128.94 45.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.6 t -115.88 157.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -123.58 119.81 30.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 89' ' ' PHE . 32.1 mt -104.67 149.98 25.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.61 109.66 4.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.2 p90 -122.8 151.82 41.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 108.059 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -95.53 159.43 32.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.94 4.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -7.15 59.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -94.74 -49.59 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.61 112.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.07 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.68 44.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.364 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -150.73 28.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 52.72 101.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.5 mp -47.97 95.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' ALA . 18.9 m -52.25 -59.9 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.22 -139.55 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -154.3 148.41 25.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -107.5 138.34 43.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 110.466 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.32 141.06 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -145.38 140.63 27.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -120.48 136.53 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.492 ' HB2' ' CG ' ' A' ' 64' ' ' TRP . . . -122.64 161.55 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -101.58 163.42 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.33 16.44 16.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -32.48 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -41.96 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 8.1 mtp 64.0 35.38 10.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -83.93 9.64 11.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CG ' ' HB2' ' A' ' 57' ' ' ALA . 84.9 m95 45.61 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 108.044 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 174.26 119.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -50.66 110.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -86.45 -42.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.513 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -161.54 165.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.1 mm-40 -139.03 158.6 43.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' ND1' ' OE1' ' A' ' 94' ' ' GLU . 4.7 m-70 38.81 61.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.513 ' CD1' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -80.23 -165.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -136.05 -71.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 166.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 18.2 p -98.41 2.17 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.9 151.64 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.44 145.61 21.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.9 m -96.78 123.73 40.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.0 mm -85.53 143.36 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -126.49 177.55 6.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 57.32 64.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -124.24 136.36 54.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.5 t -85.98 130.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 85.1 mt -75.96 129.87 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.33 43.23 1.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -171.79 163.96 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.16 158.48 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -139.93 167.76 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.51 ' CG ' ' HE3' ' A' ' 105' ' ' MET . 20.7 m-85 -120.44 140.37 51.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 34' ' ' VAL . 54.3 m-85 -123.59 146.41 48.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.6 ptt180 -148.91 124.61 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.05 131.33 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 30.3 m-85 -107.19 178.26 4.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 m -111.93 113.41 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.448 ' OE1' ' ND1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -83.25 158.94 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 165.97 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.1 ptp -42.07 -28.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -70.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.69 153.01 6.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -50.99 144.19 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 p -73.18 133.17 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -41.22 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.84 140.96 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -130.39 148.62 52.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.7 m -82.51 99.74 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.51 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 1.1 ttp -82.66 154.14 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 108' ' ' GLU . 36.1 p -67.65 125.39 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.76 -30.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 106' ' ' THR . 24.6 mt-10 -130.39 -175.9 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -111.48 165.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.57 118.24 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.26 125.83 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 ' CG2' ' HA ' ' A' ' 83' ' ' ILE . 22.9 mm -91.04 128.71 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.82 149.76 6.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 59.01 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.75 -61.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.25 130.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -56.48 -165.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.9 mp -139.17 -131.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -147.26 -136.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 64.33 126.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.9 112.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.65 -151.55 7.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.14 150.95 30.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -147.55 144.92 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.4 -115.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.17 63.49 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.711 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t -95.76 121.67 37.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.072 . . . . 0.0 109.963 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 tt -116.99 115.68 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -146.64 104.46 3.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ASP . 74.9 mt 38.48 88.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.91 111.23 8.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mt -120.39 -149.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.216 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.72 135.61 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -142.87 16.44 1.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 56.66 161.73 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 95' ' ' ASN . 18.2 Cg_endo -74.99 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.26 156.69 23.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.05 13.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -47.77 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.81 164.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 23' ' ' ILE . 48.8 t -139.94 117.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -127.18 171.97 10.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -116.05 105.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CB ' ' HB1' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -41.41 -46.9 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 177.02 178.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 p -147.6 122.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASN . 19.6 p90 -123.58 130.75 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.57 -119.32 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -97.78 40.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' TRP . 13.9 m-80 -140.0 133.57 30.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.28 147.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 27' ' ' GLU . . . -116.99 118.43 32.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 ' CG ' ' A' ' 89' ' ' PHE . 43.0 mt -99.54 149.25 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -149.27 108.42 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.484 ' CE2' ' O ' ' A' ' 74' ' ' THR . 49.0 p90 -119.7 151.33 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' HG21 ' A' ' 23' ' ' ILE . 42.6 p -91.77 160.79 35.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.616 1.198 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.26 41.58 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.85 24.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -85.86 -13.76 46.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.96 -176.3 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -155.43 -48.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.8 -74.83 2.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -170.14 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.8 109.17 7.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.383 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.09 117.97 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp -40.56 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -67.84 -58.14 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -144.45 3.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -154.92 120.35 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -92.29 128.57 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.27 153.09 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -148.41 139.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -117.35 148.7 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 64' ' ' TRP . . . -157.68 138.9 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -81.74 174.59 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 20.63 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -83.35 -50.54 8.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -155.24 33.59 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . 12.7 ttm 34.45 56.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 10.7 mt-10 -93.67 125.85 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.228 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 57' ' ' ALA . 58.4 m95 -107.95 125.51 51.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.67 21.29 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m 62.0 132.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.54 -44.53 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.494 HG23 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -162.63 153.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.87 145.74 51.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.45 58.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' HG23 ' A' ' 68' ' ' ILE . 3.2 t80 -73.68 -171.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -129.85 -77.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.587 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.484 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 2.5 p -109.89 -7.16 15.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.31 143.96 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.91 26.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.3 m -85.25 121.01 27.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.11 149.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.9 t -141.11 -149.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 110.373 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.7 mt-10 41.97 33.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 87' ' ' TYR . 34.0 mt -93.67 153.04 18.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.2 t -112.21 124.03 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 37.0 mt -64.05 138.12 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.53 39.25 5.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -162.63 157.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.0 pm0 -119.49 133.27 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.569 ' CE1' HD22 ' A' ' 81' ' ' LEU . 38.6 m-85 -123.83 170.05 10.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 12.6 m-85 -120.57 -179.13 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 60.1 m-85 -160.53 134.5 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' NH2' ' CD1' ' A' ' 64' ' ' TRP . 40.3 ptt180 -139.44 128.41 23.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' A' ' 38' ' ' TRP . 94.5 t -102.77 126.96 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 67.4 m-85 -103.05 -176.17 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -118.8 109.33 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -93.04 151.54 19.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 96' ' ' MET . 14.1 p-10 177.61 -166.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.422 ' HG3' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -54.49 -40.12 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' N ' ' SD ' ' A' ' 96' ' ' MET . 4.4 m -65.15 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.8 -135.02 2.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.43 154.57 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 p -84.39 129.27 34.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -37.81 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 135.2 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.52 ' HB2' ' CD1' ' A' ' 92' ' ' PHE . . . -130.37 155.88 45.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -92.63 100.26 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 88' ' ' TYR . 3.0 tmm? -93.7 149.89 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -71.66 102.67 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -26.6 60.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 -39.63 19.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.0 -162.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.26 130.14 28.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.67 113.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.392 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 83' ' ' ILE . 12.0 mm -77.99 139.93 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.93 159.02 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -79.81 54.79 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -173.09 163.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -117.42 137.88 13.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -79.33 142.2 36.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 0.729 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.472 ' O ' ' CD1' ' A' ' 119' ' ' TYR . 2.1 mp -68.17 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 118' ' ' ILE . 8.2 m-85 -149.42 -137.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.35 133.96 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.91 169.63 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.85 160.97 1.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.79 -55.49 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 62.8 125.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 94.92 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.0 -59.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.72 76.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.07 143.36 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.79 110.66 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.97 87.77 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -102.93 91.61 4.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -134.56 104.98 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 pp -59.16 156.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.96 150.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.37 149.8 97.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.31 2.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.83 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.3 -164.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 151.8 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -45.2 -53.24 8.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -158.15 159.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' HD12 ' A' ' 23' ' ' ILE . 60.0 t -137.07 111.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -122.26 166.16 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLU . 3.5 mt -108.92 102.78 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.6 -46.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.42 177.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.34 123.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 p90 -130.56 143.92 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 113' ' ' ALA . . . 38.35 -119.71 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -107.39 44.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -143.38 127.5 17.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 35' ' ' ALA . 2.0 t -113.33 143.39 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -113.56 119.8 38.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.558 HD12 ' CD2' ' A' ' 89' ' ' PHE . 11.1 mt -104.26 151.39 23.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.49 109.24 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 54' ' ' ILE . 47.0 p90 -119.91 153.85 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.3 p -97.54 161.37 26.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 163.31 35.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.88 28.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -9.33 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.408 1.067 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -130.99 170.07 14.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -140.18 -53.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.75 49.25 6.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 59.77 77.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.3 179.92 2.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.12 108.08 8.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.0 mp -57.07 98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 p -64.24 -55.05 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.58 -150.94 5.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -146.72 152.39 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -112.52 135.65 52.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.566 HD11 ' CH2' ' A' ' 38' ' ' TRP . 2.9 mt -112.78 132.8 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -134.32 118.06 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' NZ ' HG22 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -115.07 166.97 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -156.42 162.71 40.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 168.52 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 25.14 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -110.66 -50.93 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -117.66 -22.9 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 76.1 mmm 60.87 43.46 11.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mm-40 -89.01 136.98 32.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.94 107.57 19.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.4 m-85 -118.51 114.28 22.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PHE . 18.4 m -37.87 124.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' NZ ' ' A' ' 56' ' ' LYS . 9.7 t -99.3 -32.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.451 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.27 151.38 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.58 145.86 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' CD ' ' A' ' 94' ' ' GLU . 10.4 m-70 49.52 45.67 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.38 -176.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -110.41 -78.65 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -175.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.545 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 73.3 p -108.66 5.86 25.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.07 137.13 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 140.82 39.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.6 m -95.09 114.66 26.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.8 mm -82.44 157.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 4.0 t -139.26 -167.31 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.554 ' N ' ' OG1' ' A' ' 79' ' ' THR . 7.1 mt-10 50.28 42.25 25.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.3 mt -105.79 132.29 52.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.437 HG13 ' ND2' ' A' ' 85' ' ' ASN . 7.3 p -88.21 140.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.18 122.4 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.605 1.191 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.82 -0.81 27.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' ND2' HG13 ' A' ' 82' ' ' VAL . 12.7 m-20 -116.66 160.32 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.23 145.71 43.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -137.24 158.18 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.467 ' CD1' ' HE3' ' A' ' 105' ' ' MET . 37.9 m-85 -116.58 164.08 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD2' HD12 ' A' ' 36' ' ' LEU . 13.0 m-85 -144.37 156.16 44.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 7.7 mtp85 -154.15 121.05 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.85 136.58 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 4.9 m-85 -118.51 157.0 28.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m -89.23 124.86 34.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' NE2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -103.83 153.24 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 178.93 -172.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.07 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -89.88 32.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 -59.14 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.57 143.06 3.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -40.46 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.812 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -79.73 123.65 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.59 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -110.12 152.22 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -131.17 144.26 51.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.4 m -83.24 99.44 9.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.467 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -80.69 143.18 33.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 108' ' ' GLU . 71.8 p -48.48 119.52 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -40.37 -31.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.6 pt-20 -132.7 168.97 17.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.0 p -90.29 170.21 10.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.87 115.27 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.69 114.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.8 mm -64.09 134.19 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . -146.52 -178.45 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -126.98 105.62 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.08 163.51 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.47 27.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.46 1.1 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.21 155.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 0.1 OUTLIER 68.79 116.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -96.61 17.4 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.97 153.69 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.961 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.18 165.78 13.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.29 -127.85 2.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -112.32 135.34 53.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.065 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.39 145.73 25.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.12 116.62 1.34 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.32 160.59 32.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.592 0.819 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.64 125.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.947 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 pt -68.79 164.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ILE . 8.2 p30 -142.84 139.13 30.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . 35.6 mt 36.87 88.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -99.32 115.73 29.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -126.09 97.25 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.68 143.5 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.258 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -173.08 145.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.39 146.99 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 171.96 17.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.11 -173.16 32.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.53 29.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -41.4 -56.99 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -152.49 157.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 106' ' ' THR . 83.7 t -136.42 113.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.81 170.95 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mt -111.49 107.43 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.22 -46.54 9.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 t0 176.74 176.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.06 123.09 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.6 p90 -130.77 149.77 52.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.01 -118.56 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -111.5 27.21 9.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -127.08 136.28 51.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.0 t -116.92 153.46 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -116.85 119.26 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 89' ' ' PHE . 32.5 mt -102.03 149.68 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.369 1.043 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 27' ' ' GLU . 1.2 p -149.41 110.0 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 74' ' ' THR . 49.3 p90 -121.85 151.38 40.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 p -92.84 162.06 29.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.41 25.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -9.47 48.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -158.43 95.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 45' ' ' GLY . 3.5 p30 -75.97 -45.37 35.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . . . 103.87 -89.87 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -136.05 -55.92 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.58 113.4 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 137.5 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.508 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 19.7 mm -63.22 111.05 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -78.64 -37.27 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . -179.97 -145.73 6.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 98.2 m-85 -163.04 124.85 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 54' ' ' ILE . 17.5 m -90.32 150.8 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 38' ' ' TRP . 2.7 mp -132.88 145.17 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -143.57 143.8 31.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -112.2 144.47 41.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -133.69 137.08 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 168.63 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -91.21 22.75 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -41.43 5.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -130.67 -41.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.1 mtp 65.42 27.76 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -85.57 7.84 21.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 88' ' ' TYR . 42.1 m95 50.04 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 25.7 m-85 -168.05 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -166.86 151.04 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.95 -46.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.55 139.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.7 mm-40 -133.51 128.97 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 15.4 m-70 76.56 54.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.648 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -89.57 -179.97 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.8 -72.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 176.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 26.7 p -110.88 11.15 22.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.33 137.93 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.01 139.57 21.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -90.22 132.52 35.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 89' ' ' PHE . 5.7 mm -89.82 164.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.8 p -141.5 -172.89 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 42.81 77.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -133.38 127.3 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.498 HG12 ' ND2' ' A' ' 85' ' ' ASN . 7.6 p -74.01 138.25 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.0 mt -78.81 132.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.79 21.32 40.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.498 ' ND2' HG12 ' A' ' 82' ' ' VAL . 1.7 m-20 -131.91 170.11 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -119.07 166.4 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.429 ' OH ' ' CG1' ' A' ' 82' ' ' VAL . 94.0 m-85 -150.88 171.58 17.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.4 m-85 -137.88 138.33 38.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' HG11 ' A' ' 34' ' ' VAL . 50.8 m-85 -119.02 155.19 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.555 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 11.7 mtm180 -152.37 124.55 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 38' ' ' TRP . 95.7 t -97.77 134.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.516 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 38.7 m-85 -120.88 124.2 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -63.79 106.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 162.28 27.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.2 178.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.4 ptp -67.25 -25.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.96 -45.67 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -132.62 3.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 92' ' ' PHE . 3.9 mm? -106.28 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -83.84 128.16 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -44.68 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.99 152.62 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -128.35 143.52 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -88.91 110.24 20.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.44 145.39 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.426 ' CG2' HG11 ' A' ' 24' ' ' VAL . 12.4 p -51.78 121.48 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -30.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -132.59 159.51 39.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -89.21 174.78 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.66 120.67 35.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.6 128.65 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.1 mm -83.21 127.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.54 6.98 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 67.26 19.87 10.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -166.62 158.31 13.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.09 145.76 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.29 154.33 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 64.0 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -157.81 158.01 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 0.817 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.3 147.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.03 -87.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 61.31 151.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 110.047 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.0 155.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.89 -145.97 11.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -139.81 66.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER 161.31 145.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -151.73 127.26 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 177.31 81.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.198 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 97.0 mt -74.86 82.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' C ' ' CG1' ' A' ' 14' ' ' ILE . 53.3 tt0 -130.14 47.08 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' CG1' ' C ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -151.17 87.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 pt -80.7 133.97 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 177.91 149.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -73.83 142.79 80.5 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 128.6 11.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -164.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.6 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.599 1.842 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 150.26 37.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -45.62 -46.53 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -166.26 163.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.38 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' HD11 ' A' ' 23' ' ' ILE . 99.0 t -139.1 114.41 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -124.34 173.54 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -117.78 101.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' CG ' ' CG2' ' A' ' 37' ' ' THR . 0.1 OUTLIER -38.84 -41.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.97 179.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' ' 112' ' ' ILE . 2.5 p -147.28 122.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -132.16 150.2 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.08 -119.99 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -111.98 33.18 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -134.04 124.22 25.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -104.8 151.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -116.77 120.38 38.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' A' ' 89' ' ' PHE . 9.9 mt -105.7 152.04 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.45 ' CG2' ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.33 106.65 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CE3' ' O ' ' A' ' 74' ' ' THR . 31.0 p90 -116.28 158.65 23.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.3 p -107.71 155.93 38.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.73 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.424 1.749 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 151.44 39.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -78.94 -5.56 54.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.82 135.76 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -170.93 70.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.13 -47.42 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.596 1.185 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -121.59 126.39 48.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.41 52.22 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.79 168.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 51' ' ' GLY . 4.1 mp -80.94 114.77 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -72.43 -24.11 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' ILE . . . -179.63 -163.81 30.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 45.8 m-85 -143.65 122.53 12.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -85.55 132.15 34.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.02 144.68 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -141.57 140.57 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.23 148.53 33.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.49 147.54 25.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.9 178.92 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 14.71 10.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -69.05 -50.98 43.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 31.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 47.27 50.94 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 14.2 mt-10 -98.57 136.13 39.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.434 ' CD2' ' HB1' ' A' ' 57' ' ' ALA . 13.6 m95 -113.44 154.64 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.49 22.64 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m 60.95 144.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.09 -43.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 155.67 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -137.35 141.35 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 4.9 m170 47.19 66.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -86.3 -167.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ARG . 47.3 t-80 -129.52 -75.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -51.42 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.243 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.566 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 4.7 p -116.87 -0.1 12.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.55 139.12 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.01 139.09 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.0 m -97.59 123.68 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.28 156.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 p -136.65 -178.32 5.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 50.93 71.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.36 137.58 47.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.3 128.23 42.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 71.4 mt -68.87 130.11 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.64 45.27 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -163.53 158.24 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.24 142.05 47.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 10.0 m-85 -131.84 171.82 13.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -126.7 153.75 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CG ' HD12 ' A' ' 36' ' ' LEU . 53.0 m-85 -131.15 135.04 47.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tmm_? -126.77 125.39 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.8 t -106.32 125.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 3.9 m-85 -96.18 -173.77 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 m -130.64 94.64 3.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.454 ' OE2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 mm-40 -69.22 163.79 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.73 -170.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.75 40.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.92 -64.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.77 -146.63 6.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.28 152.98 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 19.4 p -80.38 127.2 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.16 -26.1 67.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.9 133.23 44.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.538 ' CB ' ' CG ' ' A' ' 90' ' ' ARG . . . -131.5 153.87 49.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 m -105.52 98.33 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.2 ttm -74.01 137.27 43.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.9 p -40.42 121.58 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -128.93 154.24 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.0 p -78.3 173.17 12.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.03 125.63 46.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 120.47 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 29' ' ' VAL . 21.4 mm -73.48 144.96 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 112' ' ' ILE . . . -172.17 145.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 83' ' ' ILE . 1.3 mtp-105 -70.34 60.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -132.32 105.05 7.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.47 118.85 6.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -170.89 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.32 128.24 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -145.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 177.66 133.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 0.806 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -163.85 165.58 22.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.38 155.45 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.27 -45.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 110.032 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m 62.33 154.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.58 147.09 12.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.82 111.01 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.86 89.83 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp 67.05 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.56 151.65 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' ASP . 79.7 mt 38.21 87.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.69 158.29 33.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.74 101.44 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 pt -66.35 -175.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 70.43 -176.07 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.2 169.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 177.17 8.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.43 159.03 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.078 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 173.71 14.01 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.59 29.14 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -40.71 -58.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -149.61 161.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' HD11 ' A' ' 23' ' ' ILE . 71.9 t -137.67 116.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.07 172.81 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . 3.5 mt -113.4 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -38.74 -46.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.221 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.3 178.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -147.45 122.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' GLY . 40.8 p90 -127.97 148.16 50.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.07 -120.84 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -106.78 37.2 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -135.59 138.59 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.3 148.1 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -115.96 119.74 36.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' SER . 10.0 mt -104.94 150.6 24.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 HG22 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.19 115.22 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.604 ' CH2' ' C ' ' A' ' 75' ' ' SER . 45.3 p90 -123.75 149.59 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 108.053 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -91.62 159.93 37.59 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.15 35.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.411 1.742 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.63 24.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -6.67 50.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.68 159.7 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 10.1 t0 174.91 111.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.03 -72.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -47.53 -57.48 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.78 104.22 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.92 109.07 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.409 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 3.2 mp -49.85 114.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' ' CE1' ' A' ' 72' ' ' HIS . 19.4 m -92.43 -55.78 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.94 -179.96 18.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CZ ' HG22 ' A' ' 49' ' ' ILE . 79.9 m-85 -134.23 124.0 25.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 0.812 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -91.0 120.57 32.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -106.92 155.46 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' CG ' ' C ' ' A' ' 54' ' ' ILE . 7.4 mt-30 -153.28 155.18 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -128.48 150.16 50.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.45 120.15 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -70.74 178.34 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.92 20.59 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -46.08 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.0 m -120.49 -33.88 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.23 26.18 5.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.65 138.92 39.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.48 ' CD1' ' CZ ' ' A' ' 90' ' ' ARG . 44.8 m95 -88.49 131.68 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -120.8 26.01 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m 62.93 137.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 t -121.75 -45.21 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.37 155.92 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.8 mt-10 -140.4 152.37 45.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.7 m-70 52.39 57.22 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.533 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.46 129.22 50.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 50' ' ' THR . 16.6 m-70 -87.23 -104.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER 36.1 -158.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -144.78 20.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.604 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 1.3 p -160.06 177.93 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.9 142.38 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.5 m -107.88 111.96 24.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.525 HG13 ' CE1' ' A' ' 89' ' ' PHE . 8.5 mm -82.08 145.09 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -130.92 -178.34 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.56 65.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.51 150.88 40.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -100.62 133.13 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.46 144.91 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.65 46.8 6.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -167.74 163.13 14.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.71 148.34 42.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 36.8 m-85 -133.68 157.51 45.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 13.8 m-85 -109.19 159.72 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CE1' HG13 ' A' ' 78' ' ' ILE . 42.4 m-85 -149.77 134.88 18.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' CD1' ' A' ' 64' ' ' TRP . 36.7 ptt180 -137.98 130.79 29.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.6 1.187 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.563 HG22 ' CE3' ' A' ' 38' ' ' TRP . 85.4 t -101.11 129.52 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 1.9 m-85 -105.08 174.82 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.8 m -119.84 119.34 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.0 173.34 6.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 172.42 -72.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.8 -59.63 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.55 -128.05 2.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 1.3 mm? -102.37 156.96 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.6 p -73.26 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -33.6 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.99 148.46 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -120.59 154.4 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -89.55 99.07 12.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.541 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -82.02 152.32 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.8 p -59.63 123.0 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -40.53 -31.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -140.35 165.73 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 p -88.02 167.38 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 120.28 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -85.8 122.21 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -79.61 141.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -172.84 153.06 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 42.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -116.42 134.1 55.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -111.13 130.04 9.55 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.5 133.75 51.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 119' ' ' TYR . 0.8 OUTLIER -80.53 -142.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER 162.78 120.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m -143.02 -58.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.55 149.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 109.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.06 101.69 1.02 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -174.36 79.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -174.11 163.25 3.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 173.98 22.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.19 89.38 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.02 177.43 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.21 138.64 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.86 121.71 41.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' ILE . 1.4 mt -107.83 -164.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 36.4 mt-30 -61.74 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -79.64 0.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 ' N ' HD21 ' A' ' 46' ' ' ASN . 11.0 mt -129.16 139.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t0 176.61 168.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -75.01 145.26 80.74 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.532 ' CD ' ' ND2' ' A' ' 95' ' ' ASN . 18.4 Cg_endo -74.96 -173.03 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . -127.69 -168.99 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -54.6 40.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -157.02 151.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -131.7 111.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 173.54 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mt -112.7 107.68 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -42.41 -47.49 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.237 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t0 177.78 178.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 34' ' ' VAL . 2.3 p -148.14 123.33 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -130.38 145.83 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.34 -118.99 1.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.33 33.78 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -131.87 130.57 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' CG2' HG21 ' A' ' 29' ' ' VAL . 2.1 t -113.54 147.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -111.68 118.51 35.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.9 mt -97.04 147.19 24.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.61 115.04 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CD1' HG11 ' A' ' 91' ' ' VAL . 46.3 p90 -131.36 152.3 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 6.9 p -97.47 157.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 119.81 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -89.54 -6.32 56.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.5 t70 -116.26 -43.58 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.2 t70 69.53 -60.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ASP . . . 109.4 -92.48 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 13' ' ' GLN . 1.9 m120 -140.39 -49.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 0.716 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.16 125.36 29.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.41 137.06 54.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.84 124.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -87.64 -51.63 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 -153.46 6.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -152.05 119.6 6.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 0.723 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -87.74 142.29 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -119.72 155.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -149.07 133.75 17.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -111.39 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.37 146.39 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' OD1' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -100.28 168.95 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 28.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -34.86 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.4 OUTLIER -169.54 31.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 0.0 110.047 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' SER . 24.7 ttm 34.39 55.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.11 112.7 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -91.68 118.44 30.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.97 117.34 26.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 m -38.16 109.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 9.5 t -86.99 -48.44 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -150.82 137.72 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 mt-10 -110.29 138.0 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.5 p80 40.51 75.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.56 -165.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.86 -72.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 165.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.061 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.434 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 10.9 p -98.76 0.79 45.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.1 142.52 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.31 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.5 m -117.0 106.38 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 mm -73.8 142.01 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -131.38 177.34 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.8 59.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.51 140.18 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.7 129.25 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mt -70.83 122.3 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.89 48.73 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -170.83 160.69 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.53 163.11 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE1' ' OD1' ' A' ' 58' ' ' ASP . 92.9 m-85 -147.64 153.08 38.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 34.6 m-85 -114.51 152.4 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 4.6 m-85 -145.65 156.24 43.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 38' ' ' TRP . 71.5 t -99.05 147.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -112.17 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.2 m -126.07 91.11 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.98 148.92 48.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.532 ' ND2' ' CD ' ' A' ' 18' ' ' PRO . 2.9 p-10 -167.44 176.47 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.74 24.58 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -122.67 -50.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.404 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . 161.41 151.0 6.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.55 159.73 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 p -72.39 132.13 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -37.1 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.82 154.59 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.35 153.98 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -77.52 99.99 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.3 ttp -78.88 144.77 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.4 p -55.9 119.31 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -30.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.33 -178.4 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 p -112.05 166.5 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 115.69 27.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.8 t -101.1 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.7 mm -78.89 124.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -127.41 3.15 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 56.91 24.75 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.72 111.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.64 120.08 5.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -120.76 -175.29 3.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.732 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.7 mt -119.68 89.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -90.42 21.56 3.84 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.083 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -174.48 164.25 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 0.813 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.41 167.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.07 -145.01 9.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.64 141.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -176.99 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.6 177.35 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.41 -62.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 67.59 160.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.69 137.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ILE . 6.2 t0 176.32 134.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . 55.5 mt 37.27 88.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -110.93 109.95 20.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.06 101.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 pt -60.93 136.28 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.0 164.85 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -63.25 146.89 95.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.19 18.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . 83.79 179.55 52.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 173.99 13.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.76 28.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.752 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -43.11 -60.73 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.0 OUTLIER -148.47 160.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.45 ' N ' HD11 ' A' ' 23' ' ' ILE . 53.7 t -134.5 115.79 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' THR . 3.3 ptpt -127.63 167.79 15.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -110.37 110.21 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -45.63 -45.59 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.24 178.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.21 122.99 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLY . 22.9 p90 -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.22 -119.57 0.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -106.37 39.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -139.37 131.74 28.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 35' ' ' ALA . 2.2 t -116.53 149.99 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -115.2 120.57 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 89' ' ' PHE . 22.6 mt -103.63 146.87 27.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' LYS . 1.3 p -149.43 113.18 5.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.387 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CD2' HG21 ' A' ' 91' ' ' VAL . 35.4 p90 -119.32 151.67 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.05 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.4 p -92.33 161.39 32.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 162.14 37.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.578 1.83 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.87 31.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -5.86 40.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.3 t0 -140.33 99.82 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 43' ' ' ASP . 9.7 m-20 -39.87 -65.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.53 144.0 11.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -80.56 2.36 25.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -94.65 -7.4 40.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 60.59 120.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 52' ' ' TYR . 4.1 mp -70.6 86.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -49.22 -49.6 42.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -170.39 -134.4 1.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 51' ' ' GLY . 29.9 m-85 -166.97 128.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 99' ' ' LEU . 4.1 m -95.04 121.13 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -107.73 142.71 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -141.09 137.05 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -113.99 150.86 33.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.118 . . . . 0.0 109.222 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.11 122.19 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.51 168.28 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 10.17 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -76.53 -49.38 16.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -147.09 19.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.445 ' HE2' ' CZ2' ' A' ' 64' ' ' TRP . 0.7 OUTLIER 37.22 48.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -90.52 130.48 36.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 11.6 m95 -105.26 130.1 53.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -137.67 44.29 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m 55.49 166.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -151.25 -44.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CG2' HD13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -146.71 148.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -144.65 135.51 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 72.05 61.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.681 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -111.32 124.18 51.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.26 -41.6 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.508 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 2.3 p -137.17 19.39 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.598 ' O ' ' CE2' ' A' ' 71' ' ' TYR . 2.1 p -138.35 154.5 48.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.48 162.37 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.5 m -132.73 102.2 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 89' ' ' PHE . 4.4 mm -73.96 158.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -139.86 -172.13 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.05 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' A' ' 87' ' ' TYR . 65.8 mt -129.9 148.59 51.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -86.44 133.94 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 114' ' ' ARG . 88.8 mt -79.77 120.07 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.63 7.33 34.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.96 167.49 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -110.68 168.01 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE2' HD21 ' A' ' 81' ' ' LEU . 48.2 m-85 -152.75 147.54 26.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -119.89 137.47 54.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 78' ' ' ILE . 15.5 m-85 -129.72 159.32 36.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -153.51 143.3 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.526 HG21 ' CD2' ' A' ' 38' ' ' TRP . 77.5 t -104.69 143.99 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE1' ' HB1' ' A' ' 103' ' ' ALA . 33.3 m-85 -122.3 142.98 49.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.16 125.01 33.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.462 ' CG ' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -119.25 157.74 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -179.39 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -175.95 -37.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.2 p -54.15 -47.66 71.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 123.25 101.49 1.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.557 1.16 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER 33.97 -148.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.724 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 p -138.4 151.29 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -34.37 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.22 169.13 18.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB1' ' CE1' ' A' ' 92' ' ' PHE . . . -130.13 123.39 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -58.17 98.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.6 ttm -71.02 149.53 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.434 ' CG2' HD13 ' A' ' 26' ' ' ILE . 13.0 p -51.47 115.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.7 OUTLIER -39.82 -31.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.9 pt-20 -127.08 172.13 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -97.69 174.35 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.069 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -125.02 122.35 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.35 128.45 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.37 146.5 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.65 141.76 4.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -72.42 58.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -168.9 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 39.4 91.48 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 118' ' ' ILE . 7.0 pttt -90.98 -158.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.225 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 117' ' ' LYS . 1.0 OUTLIER -62.02 -131.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 3.6 t80 64.48 134.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -167.3 166.91 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.76 142.44 46.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.61 171.97 14.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.581 1.176 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.38 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.13 170.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.53 -145.67 12.87 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.49 -58.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 m 63.87 124.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -82.25 108.41 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -170.51 139.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ASP . 80.8 mt 38.17 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.23 146.93 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -124.55 99.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -54.73 149.59 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.33 171.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.381 1.051 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 55.56 98.57 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' CB ' HG13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 -19.15 18.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.98 169.87 45.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.8 13.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 165.3 31.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -49.66 74.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -156.92 163.55 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' N ' HD13 ' A' ' 23' ' ' ILE . 59.7 t -141.15 120.5 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 161.61 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . 1.3 mp -100.46 101.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -38.48 -51.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.6 -177.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 3.6 p -140.21 121.26 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ASN . 26.3 p90 -141.03 146.84 37.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 107.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . 44.83 39.57 6.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 mt-10 69.4 6.09 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 30' ' ' TRP . 9.2 m-80 -97.21 119.73 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -96.65 132.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 27' ' ' GLU . . . -100.18 117.62 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 89' ' ' PHE . 24.5 mt -92.08 146.9 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.59 108.8 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.413 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.523 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.5 p90 -120.98 152.81 38.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.472 ' CG2' HG21 ' A' ' 23' ' ' ILE . 41.3 p -90.25 161.17 38.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -74.43 -8.06 55.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.95 93.17 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.44 -38.12 71.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 78.62 -73.26 2.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 21.8 m-80 -173.29 159.48 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 94.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.92 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 18' ' ' PRO . 2.7 mp -41.67 113.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.35 -178.29 45.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.24 129.5 49.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 14.4 m -101.01 128.74 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.22 145.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -151.71 155.06 37.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -111.53 158.48 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -157.77 116.19 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.6 178.31 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 17.59 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -58.34 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -152.15 24.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.468 ' HE3' ' CD2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER 51.12 42.19 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -80.02 133.27 36.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.502 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 54.0 m95 -112.87 129.57 56.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 107.977 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.25 -87.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.84 145.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.8 t -128.53 -44.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 tt -154.04 148.2 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.202 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.74 138.37 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.63 50.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.665 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -89.81 -178.83 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -139.41 -55.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 16.4 p -109.56 -0.9 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.44 148.71 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.11 130.49 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.1 m -87.58 137.7 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 79' ' ' THR . 37.9 mm -100.0 165.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 78' ' ' ILE . 5.4 p -146.05 -179.63 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.188 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 51.77 70.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 46.2 mt -129.08 132.85 47.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -85.74 131.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.37 111.61 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.98 -33.78 2.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -102.67 157.22 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -103.4 167.84 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 57.4 m-85 -151.24 146.72 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.468 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 20.6 m-85 -110.91 156.25 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 31.6 m-85 -137.62 156.67 47.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 40.0 ptt180 -152.46 133.28 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.3 t -107.6 154.14 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE1' ' CB ' ' A' ' 103' ' ' ALA . 69.5 m-85 -130.99 -171.92 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -138.99 92.79 2.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.472 1.107 . . . . 0.0 110.063 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.74 162.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 97' ' ' CYS . 5.3 p30 -177.64 -157.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.2 ptp -89.68 31.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.8 t -136.46 -58.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 138.44 97.64 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.527 ' C ' ' O ' ' A' ' 98' ' ' GLY . 2.6 mp 30.25 -140.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.96 142.41 44.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.405 1.066 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -30.36 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.91 154.65 50.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 92' ' ' PHE . . . -126.38 153.7 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.2 m -85.51 99.04 10.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.445 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ttp -76.74 162.34 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 108' ' ' GLU . 35.1 p -74.78 124.06 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -32.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 106' ' ' THR . 68.6 mt-10 -145.11 166.91 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 p -88.44 172.66 9.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.84 29.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.34 109.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.8 mm -58.64 139.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.84 153.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -94.33 60.13 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.91 106.54 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.0 120.82 5.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -165.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -148.46 104.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -103.42 114.08 28.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t 178.49 135.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -175.9 168.03 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.7 170.7 33.04 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -142.53 165.34 27.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 110.057 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -146.19 136.5 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.68 -84.26 0.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.83 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.57 -46.54 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -132.9 137.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER 176.56 149.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' ASP . 76.9 mt 38.1 85.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' ILE . 4.8 mt-30 -125.37 153.36 43.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLN . 58.4 mt 37.22 88.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 46' ' ' ASN . 29.3 mt -100.81 91.64 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -85.7 130.43 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 57.55 108.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -16.16 20.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.92 -173.07 44.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.81 13.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.06 42.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.9 -54.6 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.67 163.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' N ' HD11 ' A' ' 23' ' ' ILE . 61.7 t -140.49 115.76 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -126.15 170.15 12.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' CG1' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -112.89 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.64 -43.43 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 172.09 177.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 112' ' ' ILE . 2.1 p -147.47 122.72 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' GLY . 14.5 p90 -129.71 147.67 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.46 -121.56 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -107.13 40.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 0.764 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -140.09 131.56 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -115.17 146.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -113.42 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 89' ' ' PHE . 23.3 mt -104.79 151.23 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.5 108.13 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.6 p90 -118.93 154.07 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 p -95.8 161.05 28.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.23 23.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.531 1.806 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 137.65 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -9.88 52.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.87 149.77 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -177.72 108.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.08 -50.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.445 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -99.11 104.13 16.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.14 69.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.34 135.57 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.9 mp -55.09 113.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -69.1 -58.54 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.91 18.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -131.77 137.26 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -87.95 141.63 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.77 141.55 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -141.37 150.55 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 38.0 mtmt -121.77 158.57 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.73 157.29 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' OD1' ' CE2' ' A' ' 87' ' ' TYR . 1.7 m-20 -101.05 173.89 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 19.31 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -36.55 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 m -116.99 -31.01 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 84.4 mmm 62.45 15.97 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.11 122.35 14.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 89.5 m95 -91.38 117.03 29.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 108.082 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.3 134.83 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.2 m -61.58 117.17 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.428 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 87.9 t -88.5 -48.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -153.72 163.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 2.4 mt-10 -139.39 150.59 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 1.3 m-70 44.57 66.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.23 -174.25 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.078 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.15 -73.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.646 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -173.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 48.8 p -114.61 -4.28 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.0 143.57 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.32 128.79 10.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -76.89 137.51 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 40.2 mm -100.27 162.0 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 p -140.42 -175.65 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.08 . . . . 0.0 110.385 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 51.76 73.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -138.64 125.34 20.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 83' ' ' ILE . 8.9 p -78.95 145.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.456 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 70.1 mt -87.38 99.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.86 -24.34 2.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -104.92 165.23 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -124.45 157.56 34.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.6 ' CE2' ' OD1' ' A' ' 58' ' ' ASP . 32.3 m-85 -139.15 168.28 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -119.34 158.08 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CB ' HD21 ' A' ' 36' ' ' LEU . 32.3 m-85 -136.02 144.83 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CH2' ' A' ' 64' ' ' TRP . 18.7 mtp85 -143.32 118.57 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.5 t -98.97 138.38 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 7.6 m-85 -117.55 175.17 5.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.4 m -115.35 130.18 56.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.99 159.75 24.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.78 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 22.4 mtt -149.34 -53.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.47 -130.3 2.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -101.06 139.24 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p -55.37 121.17 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -48.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.2 149.9 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.185 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -123.57 140.58 52.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -82.61 102.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.15 140.35 35.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -45.83 124.26 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.11 -35.07 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.45 165.45 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -92.11 172.4 8.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.8 116.57 29.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.79 108.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 29' ' ' VAL . 13.1 mm -58.47 120.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.41 6.4 4.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER 60.54 18.78 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.199 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -160.85 137.59 8.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -117.06 159.67 13.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -109.99 173.11 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.9 mt -129.01 109.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -129.86 139.47 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -159.93 146.46 16.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -165.14 170.75 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.047 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.09 -145.83 9.75 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m 62.24 137.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 0.788 . . . . 0.0 110.059 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -173.97 158.65 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.95 142.68 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.96 162.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.51 90.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.18 62.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 40.35 66.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.4 mt -84.09 86.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' ILE . 10.4 mt-30 -100.18 170.47 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 70.1 mt 38.25 75.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 15' ' ' ILE . 2.0 mp -74.98 -31.16 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ARG . 0.3 OUTLIER 53.86 -170.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 1.7 mtt180 -37.37 130.58 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -14.47 21.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.75 -152.44 49.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.48 24.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -60.91 -43.35 98.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -168.24 160.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 23' ' ' ILE . 67.5 t -136.84 112.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -121.32 172.75 7.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -114.97 109.15 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -47.31 -46.55 25.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t0 174.38 179.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -147.01 129.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 27.4 p90 -134.84 151.25 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.62 -118.65 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -110.41 34.24 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -131.1 150.83 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 35' ' ' ALA . 2.1 t -130.04 152.41 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB2' ' CB ' ' A' ' 27' ' ' GLU . . . -119.23 118.58 31.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 89' ' ' PHE . 8.5 mt -101.96 152.23 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -149.55 107.81 3.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.43 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 74' ' ' THR . 45.9 p90 -114.81 161.06 18.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 15.6 p -103.48 159.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.23 23.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.419 1.747 . . . . 0.0 111.041 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.77 35.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -77.35 -7.72 56.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.41 164.06 21.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 175.58 108.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.368 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.11 -58.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 14' ' ' ILE . 1.1 m-80 -88.05 102.24 14.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 72.6 97.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.221 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.29 41.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.94 97.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -44.08 -43.94 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . 179.35 -156.36 18.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 6.1 m-85 -143.15 114.11 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -81.91 134.48 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -116.42 142.03 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -142.86 141.32 31.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -114.39 158.14 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.27 161.99 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.41 177.85 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 18.82 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -149.4 20.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.1 mmm 56.97 36.95 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.91 128.62 36.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 73.6 m95 -107.92 132.73 53.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.062 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -131.53 117.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 98.3 m -37.58 123.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 -45.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -155.1 135.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.2 mm-40 -125.79 139.26 53.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 6.3 m-70 64.95 55.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.638 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE1' HD11 ' A' ' 68' ' ' ILE . 1.7 t80 -85.42 -165.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -140.98 -70.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.559 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 173.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 38.7 p -106.93 6.87 29.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.33 146.34 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.23 133.75 14.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.3 m -82.52 130.19 35.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 mm -99.28 166.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 9.0 t -155.21 -152.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.5 OUTLIER 48.85 42.69 20.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -107.11 142.82 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.93 108.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 114' ' ' ARG . 17.4 mt -42.49 148.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.06 52.78 5.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -175.04 163.84 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.68 141.02 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -129.11 155.93 44.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 37.0 m-85 -109.99 174.88 5.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 52.2 m-85 -159.79 142.53 13.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -141.93 121.08 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 94.7 t -97.24 132.57 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 19.8 m-85 -103.92 -172.26 2.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 m -129.64 97.6 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.944 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.72 157.27 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 9.5 p-10 172.78 -174.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.6 mmt -47.79 -43.98 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -76.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.34 -124.4 1.16 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 99' ' ' LEU . 2.1 mm? -97.86 129.16 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 0.757 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 9.3 p -44.62 147.77 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 100' ' ' SER . 25.1 t70 -162.82 171.82 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.555 ' HB1' ' CD1' ' A' ' 92' ' ' PHE . . . -125.42 146.79 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -74.16 104.78 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.553 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 2.4 ttp -81.23 138.87 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -50.64 121.67 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -33.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.2 -178.71 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.4 p -107.8 165.29 11.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.49 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.75 122.15 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.196 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.9 mm -75.35 138.81 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' ARG . . . -132.63 8.75 4.22 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ALA . 22.8 ptt180 35.31 71.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -169.3 168.48 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.43 77.43 0.23 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 178.45 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -82.55 -166.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.446 ' N ' HG22 ' A' ' 118' ' ' ILE . 10.2 m-85 -88.54 34.11 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 p -147.54 110.27 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 109.965 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.73 140.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.17 98.46 0.2 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.09 78.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.1 160.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 119.79 2.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.7 129.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.08 123.01 38.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ASP . 3.7 pt -100.86 100.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' ILE . 17.2 m-20 59.83 154.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.409 1.068 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.12 81.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.68 110.66 11.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.33 -148.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -82.93 157.18 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' ND2' ' A' ' 46' ' ' ASN . 2.7 p30 174.06 142.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 15.9 mtm-85 -39.16 138.2 0.89 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' ND2' ' A' ' 95' ' ' ASN . 18.5 Cg_endo -74.91 -16.46 20.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.566 1.824 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 93' ' ' SER . . . 70.03 -172.02 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.85 13.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.12 33.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.449 1.762 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.34 -56.88 16.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.6 OUTLIER -152.18 158.51 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' CG2' ' A' ' 106' ' ' THR . 36.7 t -138.38 115.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.26 174.81 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' CD1' ' CD2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -114.47 107.63 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -45.07 -48.17 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.37 177.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.062 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.48 122.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -127.09 131.47 50.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 45.78 -115.56 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.02 33.57 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -133.04 130.35 39.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -117.86 149.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' GLU . . . -117.2 115.6 25.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 89' ' ' PHE . 6.5 mt -98.92 153.14 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -150.24 106.94 3.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CD1' HG12 ' A' ' 91' ' ' VAL . 47.0 p90 -117.57 149.91 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.0 p -95.88 156.92 36.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.82 15.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.78 41.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -81.68 -7.7 59.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.73 -75.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 15.8 t0 45.29 78.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.26 -46.49 0.06 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' ND2' ' OD2' ' A' ' 16' ' ' ASP . 7.4 m120 -60.29 -59.22 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.5 104.02 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.14 114.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.6 mp -68.95 93.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -55.07 -49.17 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -163.26 -148.73 5.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.08 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 3.9 m-85 -154.19 122.53 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 0.706 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.8 m -87.11 130.44 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.69 140.94 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -147.21 140.59 25.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -114.33 167.86 10.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -157.58 125.46 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 165.12 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 24.59 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -100.37 -44.91 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' MET . 49.5 m -134.18 8.31 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.061 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' SER . 6.4 mtp 36.55 46.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 39.3 mt-10 -96.29 141.82 29.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.444 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 60.1 m95 -107.02 137.42 45.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -121.53 -86.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.4 112.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.6 t -88.9 -46.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -152.75 156.52 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.5 mm-40 -134.1 142.25 47.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 9.5 p80 44.79 71.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.12 -155.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -142.92 -71.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.7 p -116.7 -0.3 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 143.41 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.18 144.75 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 m -95.12 135.86 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.27 142.75 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -122.82 171.87 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 59.6 66.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.1 mt -129.99 127.73 40.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.419 HG13 ' ND2' ' A' ' 85' ' ' ASN . 7.7 p -79.73 140.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 77.6 mt -82.28 101.43 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.92 -27.08 2.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' ND2' HG13 ' A' ' 82' ' ' VAL . 87.4 m-20 -99.21 154.71 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 153.61 23.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 110.382 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.411 ' OH ' ' CG1' ' A' ' 82' ' ' VAL . 92.0 m-85 -139.41 154.17 47.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 22.7 m-85 -108.48 172.17 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CD1' HD12 ' A' ' 36' ' ' LEU . 30.4 m-85 -154.06 142.24 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 29.6 ptt180 -141.35 119.86 12.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG12 ' CD1' ' A' ' 38' ' ' TRP . 96.5 t -97.06 141.88 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 37.4 m-85 -113.24 -171.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 19' ' ' GLY . 69.2 m -128.46 97.97 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 155.75 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p-10 176.82 -176.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -25.81 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -66.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.7 -132.71 2.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.89 135.0 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 t -43.21 136.93 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.55 -40.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.0 172.79 12.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -131.54 129.52 41.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 m -66.21 100.99 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.401 ' HE3' ' CG ' ' A' ' 88' ' ' TYR . 2.9 tmm? -80.39 151.24 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.49 ' CG2' HG13 ' A' ' 24' ' ' VAL . 32.6 p -81.18 101.8 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -22.5 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.52 -35.21 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t 65.08 171.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.64 116.05 25.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 t -94.03 102.89 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 83' ' ' ILE . 12.1 mm -52.68 146.98 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.075 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 176.37 140.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 54.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -100.15 178.95 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.77 45.49 0.1 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.558 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -141.11 105.94 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.558 ' CG2' ' O ' ' A' ' 117' ' ' LYS . 4.4 tt 59.18 142.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -134.9 123.17 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -148.72 89.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.61 149.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.18 70.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -141.57 167.99 20.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 p -176.8 148.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.73 -134.22 11.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.31 160.84 37.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 108.41 14.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.76 72.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ILE . 12.0 t0 -141.3 140.56 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ASP . 74.6 mt 38.75 78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -102.13 114.83 29.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mm -78.99 83.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -37.13 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 178.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -47.54 145.68 4.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.248 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CG ' ' ND2' ' A' ' 95' ' ' ASN . 18.3 Cg_endo -74.98 173.99 13.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.547 1.814 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.75 -165.64 26.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.419 1.074 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.1 42.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -42.93 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -171.99 163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' N ' HD13 ' A' ' 23' ' ' ILE . 78.0 t -140.14 119.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.212 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 1.7 mtmt -128.42 170.99 12.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.158 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -116.33 103.46 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HG3' ' CG2' ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.84 -46.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 171.63 178.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.01 122.31 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' GLY . 11.0 p90 -129.61 153.91 47.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 35.76 -120.28 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -110.89 44.63 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.803 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -143.36 137.46 28.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 81' ' ' LEU . 1.9 t -117.82 147.03 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -116.51 117.33 29.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.0 mt -104.49 152.15 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.82 110.64 4.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 33.5 p90 -118.9 150.48 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.061 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 ' CG2' HG21 ' A' ' 23' ' ' ILE . 41.7 p -95.8 160.37 30.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.77 30.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 138.47 23.27 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -82.92 -9.34 59.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.372 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -83.15 -85.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.1 t0 43.69 64.02 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.52 54.49 0.72 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p30 175.73 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.51 -178.19 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.89 15.81 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp 46.37 79.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -39.03 -46.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.9 -159.87 16.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -136.51 122.46 20.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.424 ' CB ' HD12 ' A' ' 99' ' ' LEU . 20.7 m -81.78 156.37 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.561 ' CG2' ' CE ' ' A' ' 56' ' ' LYS . 3.1 mt -134.77 156.36 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -156.25 131.04 9.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.561 ' CE ' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -117.9 156.58 28.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -154.75 144.44 21.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.23 165.14 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.38 26.32 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -40.94 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -117.55 -23.19 7.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.3 mtp 60.84 24.71 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 53.0 mt-10 -79.49 138.37 37.53 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -107.89 129.3 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 107.983 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.0 p90 -134.41 119.66 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 69' ' ' GLU . 92.4 m -38.52 118.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.46 -35.96 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -157.44 157.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 66' ' ' THR . 5.8 mt-10 -144.44 152.88 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 70' ' ' HIS . 6.4 m170 52.29 61.26 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.632 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -103.22 122.86 45.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.23 -58.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.493 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 46.8 p -136.36 26.45 3.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.55 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 2.0 p -151.96 155.0 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.35 157.89 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -114.46 106.47 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 HD12 ' CD ' ' A' ' 56' ' ' LYS . 12.8 mm -79.3 159.51 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.8 t -143.48 -155.56 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.3 mt-10 42.96 46.95 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 87' ' ' TYR . 69.7 mt -106.34 140.34 39.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.419 HG13 ' ND2' ' A' ' 85' ' ' ASN . 8.6 p -97.67 139.77 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.0 mt -84.58 101.98 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.46 -13.44 3.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' ND2' HG13 ' A' ' 82' ' ' VAL . 95.9 m-20 -115.56 155.64 27.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 167.54 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CD2' HD22 ' A' ' 81' ' ' LEU . 97.5 m-85 -154.23 155.4 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.4 m-85 -110.74 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.561 ' CD2' ' CG ' ' A' ' 56' ' ' LYS . 19.3 m-85 -158.92 149.69 19.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -157.36 132.21 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.23 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG13 ' CD1' ' A' ' 38' ' ' TRP . 92.8 t -104.7 139.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' N ' HG11 ' A' ' 91' ' ' VAL . 44.0 m-85 -103.07 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -127.34 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 142.92 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.515 ' ND2' ' CG ' ' A' ' 18' ' ' PRO . 2.6 p30 -164.82 -167.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -57.96 -45.59 86.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.7 m -61.24 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.254 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.47 -124.8 0.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.424 HD12 ' CB ' ' A' ' 53' ' ' THR . 3.7 mm? -102.18 163.74 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -79.83 137.12 36.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -33.89 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -137.84 157.22 46.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.52 149.75 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -78.64 102.34 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.77 134.44 33.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 108' ' ' GLU . 54.6 p -45.0 120.83 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.68 -30.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' THR . 41.0 mt-10 -133.58 175.4 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -99.44 169.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.12 115.07 28.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.02 109.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 81' ' ' LEU . 21.8 mm -63.25 142.58 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.21 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.17 171.93 9.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -115.22 100.47 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -153.3 138.2 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.26 160.22 39.82 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -116.35 138.63 51.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.0 mm 50.17 97.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.67 ' N ' ' CD1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -121.06 0.27 10.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.44 87.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -63.42 102.82 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.1 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.12 -97.61 0.52 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 t 54.8 83.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.18 119.72 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.83 -98.76 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.03 -80.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -57.76 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt 69.08 107.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 149.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.4 mt -79.05 84.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ILE . 49.4 mt-30 -96.9 164.4 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLN . 61.6 mt 37.43 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.2 mt -92.91 134.3 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -47.48 173.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 156.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 18.1 Cg_endo -75.04 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.395 1.734 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.64 -170.97 13.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.65 14.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.44 24.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -38.08 -51.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -158.09 161.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' HD13 ' A' ' 23' ' ' ILE . 22.2 t -137.52 118.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -126.53 170.82 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.413 ' CG2' ' O ' ' A' ' 35' ' ' ALA . 3.9 mt -114.71 109.81 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' CG ' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -46.46 -42.74 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.23 179.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -147.41 122.66 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 38.4 p90 -133.91 157.93 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 107.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.6 -122.1 1.24 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.69 43.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 3.3 p30 -142.01 146.88 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 89' ' ' PHE . 1.4 t -122.83 138.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 26' ' ' ILE . . . -104.69 117.37 33.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 89' ' ' PHE . 9.1 mt -103.42 152.57 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.8 109.71 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 74' ' ' THR . 43.9 p90 -118.07 148.08 42.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' HG21 ' A' ' 23' ' ' ILE . 48.1 p -91.36 160.84 36.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 156.88 42.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 154.16 41.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -93.57 -29.12 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.65 79.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -42.89 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.72 -91.83 0.81 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -177.46 37.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 95' ' ' ASN . . . -138.11 12.96 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.1 19.79 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.5 mm 50.96 83.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -49.39 -61.55 2.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.47 -156.9 9.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -139.03 150.28 45.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 m -110.53 140.88 44.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.92 147.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -148.52 132.28 16.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -111.03 154.55 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.8 168.21 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' CG ' ' CE1' ' A' ' 87' ' ' TYR . 1.9 t0 -124.77 176.36 6.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 18.86 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -80.15 -52.38 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -155.56 24.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.9 mmm 51.15 36.97 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.12 131.26 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.431 ' NE1' ' NH2' ' A' ' 90' ' ' ARG . 85.7 m95 -103.83 130.93 51.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.45 107.58 10.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -38.89 113.13 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.4 t -83.82 -42.69 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -159.45 167.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.3 mm-40 -139.71 146.66 39.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 3.8 m-70 47.67 67.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.92 177.9 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -67.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 171.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 23.7 p -110.6 10.57 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.415 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -140.26 144.33 36.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.72 135.01 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.4 m -88.62 130.1 35.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.6 mm -92.06 162.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 1.2 t -136.14 -173.74 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.581 ' N ' ' OG1' ' A' ' 79' ' ' THR . 23.9 mt-10 55.39 54.29 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -117.69 132.57 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.82 140.44 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 113' ' ' ALA . 83.1 mt -81.23 100.49 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.71 -34.0 1.72 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -95.4 160.56 14.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.17 167.71 9.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CE1' ' CG ' ' A' ' 58' ' ' ASP . 96.7 m-85 -152.4 151.01 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.531 ' CD1' ' HE3' ' A' ' 105' ' ' MET . 32.2 m-85 -110.12 177.95 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.083 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 34' ' ' VAL . 48.7 m-85 -160.16 155.84 25.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.593 1.183 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' NH2' ' NE1' ' A' ' 64' ' ' TRP . 52.8 mtm180 -156.96 125.46 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.83 129.5 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 10.5 m-85 -116.32 128.98 56.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.4 m -68.72 149.26 49.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 165.39 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.467 ' OD1' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -159.73 -67.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.31 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.6 m -59.24 -54.48 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 108.278 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.47 -141.71 6.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.39 172.17 8.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.0 p -80.42 130.96 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -42.15 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.78 152.72 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HB3' ' CD2' ' A' ' 92' ' ' PHE . . . -129.59 145.96 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 55.2 m -95.64 106.51 18.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.531 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -88.82 146.65 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLU . 40.6 p -52.49 124.31 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -29.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 12.2 mt-10 -140.99 164.06 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -85.17 173.08 10.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.2 117.29 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.19 144.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.207 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 83' ' ' ILE . . . -176.1 153.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.58 95.62 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -173.12 169.19 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.69 -152.42 28.85 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.534 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.81 151.82 50.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.534 ' CG2' ' O ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER 87.77 142.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.34 19.04 20.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.27 16.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 148.67 35.85 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.779 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.494 ' OE1' ' CE ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -43.55 -46.81 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.563 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -161.58 165.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' HB ' ' A' ' 104' ' ' THR . 92.5 t -140.95 119.52 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.49 175.41 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -118.33 108.26 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -45.69 -47.06 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 t0 172.83 -179.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.29 125.56 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 35.7 p90 -136.68 158.56 44.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.81 -120.85 0.89 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.16 41.87 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 6.4 p30 -142.78 145.23 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -120.58 145.81 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.19 117.13 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 89' ' ' PHE . 4.7 mt -101.93 153.89 19.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.659 HG21 ' HG2' ' A' ' 27' ' ' GLU . 1.1 p -148.02 108.32 4.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.8 p90 -116.29 151.93 34.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.057 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 23' ' ' ILE . 39.8 p -94.05 160.78 31.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.6 30.9 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.71 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' CE ' ' OE1' ' A' ' 22' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -47.74 -53.35 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -175.48 -144.99 5.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.679 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 57.3 m-85 -155.05 121.95 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' ILE . 2.0 m -81.89 131.02 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -108.53 144.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -139.51 128.82 24.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -110.9 150.48 29.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.7 154.13 33.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.99 167.19 10.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -91.24 27.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.58 -48.17 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 m -124.51 -2.2 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.0 mtp 45.7 34.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.6 mm-40 -83.93 134.88 34.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.486 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.7 m95 -102.66 123.52 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -121.99 116.31 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -39.96 114.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 78' ' ' ILE . 53.1 t -89.08 -46.57 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -156.86 143.69 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.79 159.15 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.7 m80 42.02 55.6 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.667 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 76' ' ' ALA . 1.8 t80 -79.15 -171.4 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -70.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 173.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 39.9 p -104.47 3.3 31.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.36 140.4 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -144.1 139.01 28.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.6 m -92.7 116.68 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.579 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 mm -75.77 161.77 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.4 p -139.21 -173.28 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 48.4 65.62 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.4 mt -124.38 135.73 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.88 129.52 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -73.32 136.73 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.93 50.3 2.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -176.79 173.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.493 ' CG ' HG22 ' A' ' 111' ' ' VAL . 11.5 mp0 -121.17 164.41 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.19 158.26 40.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 30.5 m-85 -109.33 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 29.7 m-85 -162.13 143.8 10.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HD2' ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -139.36 138.58 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 38' ' ' TRP . 74.7 t -106.45 129.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CE2' ' HD2' ' A' ' 90' ' ' ARG . 9.9 m-85 -102.43 175.33 5.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 m -127.31 124.07 37.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.505 ' CG ' HD13 ' A' ' 99' ' ' LEU . 1.4 mt-10 -120.28 179.37 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 3.0 p30 168.53 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 0.0 109.21 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.68 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -61.67 2.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.03 -140.2 6.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.505 HD13 ' CG ' ' A' ' 94' ' ' GLU . 3.1 mm? -94.14 137.9 32.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 0.736 . . . . 0.0 109.227 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 t -54.65 131.44 43.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -43.39 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.11 152.08 28.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 90' ' ' ARG . . . -131.1 136.8 48.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 23' ' ' ILE . 44.6 m -77.62 99.32 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.3 137.37 36.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 26' ' ' ILE . 23.0 p -48.32 121.89 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -40.2 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' THR . 47.1 mt-10 -137.71 173.72 11.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 p -97.25 162.85 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.45 120.78 40.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.493 HG22 ' CG ' ' A' ' 86' ' ' GLU . 97.3 t -86.52 117.23 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.681 HD13 HG21 ' A' ' 29' ' ' VAL . 34.4 mm -73.76 137.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.02 13.52 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.485 1.781 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 142.12 27.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -39.85 -54.32 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.72 161.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.658 ' N ' HD13 ' A' ' 23' ' ' ILE . 45.0 t -137.21 115.5 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.42 174.3 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.7 mt -118.14 101.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.678 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.78 -43.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.94 170.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.628 HG23 ' CG2' ' A' ' 34' ' ' VAL . 5.3 p -138.72 122.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.438 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 45.9 p90 -133.26 147.81 51.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.9 -122.73 1.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -107.85 35.23 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -136.61 124.47 22.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.628 ' CG2' HG23 ' A' ' 29' ' ' VAL . 1.8 t -108.99 145.58 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.27 120.54 42.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.54 152.01 22.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.678 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.16 107.55 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.2 p90 -116.31 152.04 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 4.1 p -91.31 161.3 35.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.43 37.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.41 32.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -58.93 5.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 71' ' ' TYR . . . -158.08 -161.65 11.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.8 m-85 -138.21 132.84 32.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 0.72 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.464 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 68.5 m -100.78 135.56 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -117.86 143.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 17.0 mt-30 -143.67 144.18 31.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.687 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.21 126.44 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.15 162.0 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 26.58 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -99.14 -43.27 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 4.1 m -141.58 14.98 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 mtp 41.26 43.69 2.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.8 mt-10 -94.9 132.62 39.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.687 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 1.9 m95 -111.6 151.89 28.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 108.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -140.24 -83.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -169.0 145.47 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 78' ' ' ILE . 53.2 t -126.38 -44.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.682 ' CG2' HD12 ' A' ' 54' ' ' ILE . 1.1 tp -157.93 149.87 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.36 142.06 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m80 63.97 57.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 68' ' ' ILE . 1.7 t80 -99.95 168.8 9.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -126.45 -62.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.46 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 13.9 p -104.11 -0.12 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 144.38 44.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -147.08 135.18 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.2 m -87.11 115.15 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.1 mm -74.21 153.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -136.45 176.45 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 59.33 60.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.33 142.49 50.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.4 t -94.62 134.02 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 113' ' ' ALA . 70.2 mt -80.18 124.15 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.67 35.68 2.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -164.08 175.8 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -123.87 165.17 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.06 159.77 41.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.416 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.7 m-85 -109.36 172.85 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CG ' ' C ' ' A' ' 88' ' ' TYR . 73.2 m-85 -158.4 147.72 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -152.37 130.9 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.504 HG22 HG12 ' A' ' 54' ' ' ILE . 69.9 t -97.49 148.25 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.689 ' CZ ' ' HB2' ' A' ' 103' ' ' ALA . 38.3 m-85 -122.84 142.0 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -91.08 104.66 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 53' ' ' THR . 0.9 OUTLIER -89.75 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 95' ' ' ASN . 0.1 OUTLIER 177.97 -164.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -81.81 55.71 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.46 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.79 166.11 31.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.393 1.058 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.43 165.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.99 165.65 23.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -21.03 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -156.02 171.46 20.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.689 ' HB2' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.89 134.06 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.3 m -64.3 100.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -82.51 141.39 32.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 108' ' ' GLU . 31.9 p -51.69 123.66 10.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -30.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 106' ' ' THR . 15.4 pt-20 -127.54 179.35 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 p -107.56 170.57 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.49 119.35 39.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.3 t -90.54 120.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 29' ' ' VAL . 25.7 mm -72.84 151.94 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.515 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.98 13.59 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 142.42 27.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -46.1 -61.32 1.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -145.47 157.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 38' ' ' TRP . 73.5 t -136.83 113.18 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -126.92 174.0 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -113.29 111.69 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.608 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -48.54 -44.67 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.33 175.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.84 123.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 12.2 p90 -125.7 127.43 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.35 -121.45 2.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.51 40.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 24.5 m-80 -142.57 128.63 19.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.4 t -119.46 153.66 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.25 121.29 35.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD21 ' CD2' ' A' ' 89' ' ' PHE . 16.1 mt -104.39 151.5 23.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.61 111.17 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.5 ' HB2' HG22 ' A' ' 24' ' ' VAL . 48.1 p90 -122.88 151.54 41.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -96.92 159.29 31.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.53 36.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 146.44 32.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.758 HG21 ' OH ' ' A' ' 52' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -70.07 -60.32 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.9 -161.57 11.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.758 ' OH ' HG21 ' A' ' 49' ' ' ILE . 82.4 m-85 -145.4 112.72 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -80.16 136.46 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.2 mt -119.82 129.36 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -137.26 146.93 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.86 ' CE ' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -119.59 154.02 34.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -148.61 120.55 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.78 176.53 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 17.45 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -74.66 -52.32 12.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -150.87 22.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.16 35.36 5.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mt-10 -86.46 132.6 33.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 90' ' ' ARG . 15.6 m95 -107.66 153.8 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 107.958 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' THR . 22.9 m-85 -132.62 -83.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 170.78 138.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.86 HG21 ' CE ' ' A' ' 56' ' ' LYS . 2.6 t -118.95 -44.06 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -150.03 156.9 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -142.44 150.43 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.3 m80 63.61 39.88 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.558 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -89.41 137.0 32.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.159 . . . . 0.0 110.918 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -122.06 35.88 4.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.548 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 178.34 4.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.4 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 12.4 p -122.49 10.98 9.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.02 144.52 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -94.19 138.4 32.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.41 HD12 ' CE ' ' A' ' 56' ' ' LYS . 15.1 mm -103.57 154.14 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -137.02 176.75 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.427 1.079 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.56 64.08 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.3 mt -127.05 128.24 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.7 p -79.95 143.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.38 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 113' ' ' ALA . 74.1 mt -86.78 104.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.22 -21.51 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 82' ' ' VAL . 70.4 m-20 -99.8 156.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.79 153.81 28.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.637 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.5 m-85 -140.02 170.82 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 26.2 m-85 -129.06 138.09 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.847 ' CD2' HD21 ' A' ' 36' ' ' LEU . 33.5 m-85 -112.05 138.8 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -142.82 118.6 10.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.82 133.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 86.9 m-85 -111.45 -174.96 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 m -129.55 141.68 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.06 166.41 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.1 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -21.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 m -75.61 -77.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.27 -138.76 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.6 mm? -93.94 144.13 25.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 0.741 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.2 t -53.18 139.14 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -33.88 72.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.092 . . . . 0.0 110.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.29 152.18 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -119.29 140.28 50.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -75.25 99.55 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.445 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 1.6 ttp -81.07 146.19 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.0 p -58.31 129.23 41.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.447 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.66 -29.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -134.76 -174.84 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 90.9 p -111.52 167.6 10.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.33 118.52 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 111' ' ' VAL . 3.0 t -93.97 100.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 83' ' ' ILE . 12.1 mm -47.74 144.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.754 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 146.45 32.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -40.55 -57.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -151.85 163.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.2 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 106' ' ' THR . 38.5 t -140.92 114.5 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.4 167.52 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -110.39 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.638 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.56 -45.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.79 176.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -146.78 124.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 29.7 p90 -137.12 155.93 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.039 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.73 -120.78 2.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -114.71 24.51 11.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.586 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 12.8 p30 -126.87 133.37 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -111.17 154.2 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -117.81 119.51 35.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 89' ' ' PHE . 20.3 mt -104.31 151.66 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.638 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.56 107.57 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.554 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -119.15 153.97 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 p -96.0 159.64 31.8 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 144.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 p -50.74 -42.48 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.46 -154.73 10.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -145.33 133.96 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -84.32 149.85 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 HG22 ' A' ' 68' ' ' ILE . 3.1 mt -131.74 148.94 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.761 ' HA ' HG23 ' A' ' 67' ' ' VAL . 25.1 mt-30 -150.85 141.86 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HD3' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.59 156.7 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -157.68 148.02 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.97 172.33 7.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 22.84 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -44.69 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.08 -25.88 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.4 mmm 61.19 18.05 8.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.53 133.46 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.539 ' CH2' ' HG3' ' A' ' 90' ' ' ARG . 96.0 m95 -93.28 120.73 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -115.51 111.04 20.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -38.63 122.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.761 HG23 ' HA ' ' A' ' 55' ' ' GLN . 95.9 t -93.59 -48.66 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -158.68 157.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -129.29 140.55 51.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 53.67 48.9 20.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HG21 ' A' ' 68' ' ' ILE . 3.9 t80 -62.68 -176.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.72 -77.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.523 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.65 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 3.0 p -97.6 -7.91 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.01 136.97 54.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.38 151.45 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.3 m -106.53 125.95 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 79' ' ' THR . 5.0 mm -87.87 163.04 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.44 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.7 p -142.2 -173.23 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 44.1 74.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -131.95 165.38 24.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -110.82 137.01 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.6 mt -82.87 113.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.96 -17.98 9.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 82' ' ' VAL . 2.1 m-20 -101.21 165.98 11.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.38 167.86 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.384 1.052 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.556 ' OH ' HG12 ' A' ' 82' ' ' VAL . 45.8 m-85 -148.18 170.15 18.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' ALA . 11.2 m-85 -136.82 145.71 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 29.3 m-85 -130.1 158.73 38.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 31.6 mtm180 -157.9 119.03 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG21 ' CE3' ' A' ' 38' ' ' TRP . 93.6 t -96.51 134.49 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -116.82 137.58 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -73.09 103.07 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG2' ' CD2' ' A' ' 99' ' ' LEU . 1.9 tm-20 -84.88 151.71 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 40.7 p-10 -168.33 -175.95 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.51 28.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.34 -55.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 161.81 132.48 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 3.0 mp -43.39 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -70.84 142.2 51.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.82 62.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 165.55 23.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.591 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -131.21 150.69 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' HG21 ' A' ' 24' ' ' VAL . 21.9 m -89.85 99.93 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.01 144.91 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 24' ' ' VAL . 17.5 p -46.13 119.83 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.84 157.3 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 p -78.27 175.45 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.6 126.19 48.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.61 108.71 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.532 HD13 HG21 ' A' ' 29' ' ' VAL . 14.9 mm -57.02 145.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.62 28.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.51 -51.05 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.895 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.0 159.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 23' ' ' ILE . 74.9 t -135.55 113.68 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 172.37 7.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 106' ' ' THR . 4.4 mt -121.27 98.95 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -38.86 -47.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.08 179.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -147.43 123.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.9 p90 -130.26 148.06 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.27 -120.2 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.34 35.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 110.208 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -135.28 128.88 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.694 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -112.61 148.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -114.29 118.52 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.087 . . . . 0.0 109.41 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 89' ' ' PHE . 11.8 mt -106.74 150.31 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 27' ' ' GLU . 1.2 p -147.78 106.82 3.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.0 p90 -116.87 152.21 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 23' ' ' ILE . 4.9 p -92.71 157.75 39.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.98 36.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -75.01 150.41 38.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.769 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.637 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.7 mp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 p -117.26 -46.45 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.35 -167.13 17.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -144.98 128.53 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 68' ' ' ILE . 36.5 m -90.76 147.6 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -129.27 149.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HA ' HG23 ' A' ' 67' ' ' VAL . 24.0 mt-30 -146.78 156.28 43.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -124.66 154.59 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' C ' ' A' ' 62' ' ' MET . . . -156.28 111.77 2.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -53.94 167.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 24.48 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.14 -49.74 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -120.83 -12.12 8.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.532 ' C ' ' HB1' ' A' ' 57' ' ' ALA . 4.7 ptm 45.29 27.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -75.4 130.59 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 43.5 m95 -93.34 119.96 33.07 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.127 . . . . 0.0 107.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -113.16 -69.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 166.36 143.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 78' ' ' ILE . 30.5 t -125.22 -44.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -156.26 165.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' H ' HD13 ' A' ' 68' ' ' ILE . 4.0 mt-10 -142.05 151.51 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 39.71 85.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.534 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -111.63 -172.48 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.75 -72.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 176.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.553 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 62.5 p -110.31 11.22 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.42 142.52 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.14 143.67 26.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 1.189 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.5 m -93.11 124.97 37.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 67' ' ' VAL . 10.6 mm -90.53 138.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -118.54 178.14 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.45 60.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -121.79 136.08 54.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.52 132.64 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -75.89 138.68 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.51 30.35 7.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -164.63 162.43 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.602 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -115.89 164.05 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 12.0 m-85 -148.28 168.21 23.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.5 m-85 -108.63 -175.23 2.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.694 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 70.8 m-85 -161.62 150.36 15.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.906 ' CD ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -130.96 158.37 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG11 ' CG ' ' A' ' 38' ' ' TRP . 60.1 t -145.25 102.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 18.0 m-85 -80.43 -172.64 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 63.4 m -132.56 91.63 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.37 143.78 52.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.501 ' OD1' ' CB ' ' A' ' 97' ' ' CYS . 5.5 p30 -172.79 148.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.377 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.0 ptp -39.93 -36.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.501 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . 0.1 OUTLIER -65.11 -73.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 169.41 144.57 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' GLY . 2.8 mp -42.81 163.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -81.55 132.26 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -42.06 42.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.25 153.71 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.906 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . . . -131.27 145.14 51.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.604 ' O ' HG21 ' A' ' 24' ' ' VAL . 19.8 m -71.79 97.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 1.7 tmm? -82.52 140.58 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.835 HG21 HD11 ' A' ' 26' ' ' ILE . 21.0 p -39.94 119.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.59 -30.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 106' ' ' THR . 30.1 mt-10 -129.44 -174.0 3.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 12.2 t -106.13 163.67 12.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' GLU . . . -106.54 124.18 49.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 86' ' ' GLU . 55.5 t -91.22 127.56 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.626 HD13 HG21 ' A' ' 29' ' ' VAL . 25.4 mm -83.32 148.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.47 14.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -51.25 -59.75 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -145.66 161.06 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.652 ' N ' HD13 ' A' ' 23' ' ' ILE . 83.5 t -136.86 114.78 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.17 175.5 6.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.1 mt -119.04 101.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.36 -44.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER 174.72 178.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.22 122.72 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 38.1 p90 -131.33 148.83 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 107.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.13 -119.94 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -109.26 25.46 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -126.64 124.55 40.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.548 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.3 t -107.12 159.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -124.24 120.95 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 89' ' ' PHE . 13.0 mt -104.71 151.78 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.58 108.3 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.697 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -116.7 152.91 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.517 ' CG2' HG22 ' A' ' 23' ' ' ILE . 17.7 p -96.49 159.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.09 34.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.475 HG21 ' OH ' ' A' ' 52' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -84.03 -37.44 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . 175.43 -141.22 5.6 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 61.0 m-85 -161.02 164.62 30.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.2 m -121.44 150.58 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 68' ' ' ILE . 2.9 mp -129.95 137.84 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -146.65 124.78 12.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -111.16 160.9 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.87 160.76 43.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.74 162.95 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 27.18 2.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -41.93 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.5 m -143.86 19.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.5 mtp 37.23 38.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -78.63 122.27 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.542 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 90.0 m95 -93.82 125.03 38.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -125.28 115.96 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -41.05 118.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.449 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.15 -50.26 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -149.97 164.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -149.74 145.38 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 0.2 OUTLIER 58.2 57.54 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.588 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -87.88 -164.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -141.07 -67.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 171.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 23.9 p -105.78 -4.33 20.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.06 139.96 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.9 138.76 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -92.03 121.8 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.67 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -133.16 177.7 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 57.52 65.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.1 mt -129.14 132.78 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -87.49 129.4 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 95.8 mt -71.56 126.01 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.97 46.19 0.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -173.12 162.69 4.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.58 148.61 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -135.25 153.39 51.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -110.41 169.11 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 36' ' ' LEU . 68.0 m-85 -151.62 153.44 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 27.3 mtp85 -150.23 122.8 8.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.697 HG21 ' CE3' ' A' ' 38' ' ' TRP . 57.6 t -110.29 143.16 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 3.6 m-85 -116.17 -160.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 99' ' ' LEU . 15.6 m -136.7 122.12 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.554 ' HG2' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -98.28 152.24 19.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 35.5 p-10 -176.34 -163.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -69.83 -35.08 74.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.449 ' N ' ' SD ' ' A' ' 96' ' ' MET . 7.2 t -69.08 -74.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.221 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 170.62 -152.61 19.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -88.3 -159.91 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 p -117.24 148.32 41.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -31.01 65.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -135.82 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.61 152.37 50.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.431 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.5 m -87.56 100.88 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.158 . . . . 0.0 110.507 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -83.11 144.02 30.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.634 HG22 HG12 ' A' ' 24' ' ' VAL . 71.7 p -51.14 125.56 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -29.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 106' ' ' THR . 36.3 mt-10 -139.07 169.0 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.3 p -91.0 171.29 9.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.5 121.37 45.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -86.8 111.98 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -68.6 141.53 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.47 33.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.397 1.735 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -39.68 -56.57 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -154.07 162.74 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 23' ' ' ILE . 49.9 t -141.82 113.04 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 171.19 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.782 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.8 mt -114.97 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.809 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.95 -44.33 14.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.4 t0 173.78 178.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -147.58 123.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 16.6 p90 -128.41 141.17 51.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.87 -120.75 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.087 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.37 28.83 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 22.7 m-80 -128.55 128.94 45.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.6 t -115.88 157.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.58 119.81 30.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.1 mt -104.67 149.98 25.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.809 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.61 109.66 4.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.2 p90 -122.8 151.82 41.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 108.059 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -95.53 159.43 32.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.94 4.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -52.25 -59.9 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.22 -139.55 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -154.3 148.41 25.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -107.5 138.34 43.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 110.466 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.32 141.06 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -145.38 140.63 27.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 78' ' ' ILE . 7.9 pttt -120.48 136.53 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.825 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -122.64 161.55 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -101.58 163.42 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.33 16.44 16.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -32.48 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -41.96 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 8.1 mtp 64.0 35.38 10.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -83.93 9.64 11.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.825 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 84.9 m95 45.61 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 108.044 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 174.26 119.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -50.66 110.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -86.45 -42.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -161.54 165.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.1 mm-40 -139.03 158.6 43.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' ND1' ' OE1' ' A' ' 94' ' ' GLU . 4.7 m-70 38.81 61.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.532 ' CD1' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -80.23 -165.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -136.05 -71.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 166.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 18.2 p -98.41 2.17 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.9 151.64 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -155.44 145.61 21.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 53.9 m -96.78 123.73 40.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.41 HG21 ' HD2' ' A' ' 56' ' ' LYS . 6.0 mm -85.53 143.36 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -126.49 177.55 6.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 57.32 64.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -124.24 136.36 54.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.5 t -85.98 130.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.821 HG23 ' HA ' ' A' ' 113' ' ' ALA . 85.1 mt -75.96 129.87 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.33 43.23 1.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -171.79 163.96 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.16 158.48 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -139.93 167.76 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.472 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 20.7 m-85 -120.44 140.37 51.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 36' ' ' LEU . 54.3 m-85 -123.59 146.41 48.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.529 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 25.6 ptt180 -148.91 124.61 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 38' ' ' TRP . 98.9 t -101.05 131.33 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 30.3 m-85 -107.19 178.26 4.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 m -111.93 113.41 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.448 ' OE1' ' ND1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -83.25 158.94 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 165.97 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.1 ptp -42.07 -28.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -70.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.69 153.01 6.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 92' ' ' PHE . 3.6 mm? -50.99 144.19 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 p -73.18 133.17 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -41.22 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.84 140.96 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -130.39 148.62 52.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 23' ' ' ILE . 26.7 m -82.51 99.74 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.1 ttp -82.66 154.14 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.56 HG21 HD11 ' A' ' 26' ' ' ILE . 36.1 p -67.65 125.39 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.76 -30.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 106' ' ' THR . 24.6 mt-10 -130.39 -175.9 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -111.48 165.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.57 118.24 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.26 125.83 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 83' ' ' ILE . 22.9 mm -91.04 128.71 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.821 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.05 13.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -47.77 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.81 164.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' N ' HD13 ' A' ' 23' ' ' ILE . 48.8 t -139.94 117.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -127.18 171.97 10.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -116.05 105.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -41.41 -46.9 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.1 t0 177.02 178.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.1 p -147.6 122.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 19.6 p90 -123.58 130.75 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.57 -119.32 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -97.78 40.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 13.9 m-80 -140.0 133.57 30.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.0 t -123.28 147.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.99 118.43 32.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 89' ' ' PHE . 43.0 mt -99.54 149.25 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.27 108.42 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.484 ' CE2' ' O ' ' A' ' 74' ' ' THR . 49.0 p90 -119.7 151.33 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 23' ' ' ILE . 42.6 p -91.77 160.79 35.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.616 1.198 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.26 41.58 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.85 24.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -67.84 -58.14 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -144.45 3.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -154.92 120.35 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -92.29 128.57 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -107.27 153.09 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' HG23 ' A' ' 67' ' ' VAL . 66.7 mt-30 -148.41 139.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.5 pttt -117.35 148.7 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.68 138.9 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -81.74 174.59 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 20.63 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -83.35 -50.54 8.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -155.24 33.59 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . 12.7 ttm 34.45 56.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 10.7 mt-10 -93.67 125.85 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.228 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 58.4 m95 -107.95 125.51 51.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.67 21.29 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m 62.0 132.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LYS . 67.0 t -105.54 -44.53 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.456 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -162.63 153.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.87 145.74 51.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 52.45 58.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 3.2 t80 -73.68 -171.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -129.85 -77.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.587 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.484 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 2.5 p -109.89 -7.16 15.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.31 143.96 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -139.51 130.91 26.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.3 m -85.25 121.01 27.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 5.8 mm -94.11 149.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.9 t -141.11 -149.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 110.373 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.46 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.7 mt-10 41.97 33.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 87' ' ' TYR . 34.0 mt -93.67 153.04 18.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.2 t -112.21 124.03 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.784 HG23 ' HA ' ' A' ' 113' ' ' ALA . 37.0 mt -64.05 138.12 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.53 39.25 5.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -162.63 157.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.0 pm0 -119.49 133.27 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.5 ' CD1' HD22 ' A' ' 81' ' ' LEU . 38.6 m-85 -123.83 170.05 10.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 12.6 m-85 -120.57 -179.13 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.598 ' CD2' HD21 ' A' ' 36' ' ' LEU . 60.1 m-85 -160.53 134.5 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' NH2' ' CD1' ' A' ' 64' ' ' TRP . 40.3 ptt180 -139.44 128.41 23.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.77 126.96 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 67.4 m-85 -103.05 -176.17 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -118.8 109.33 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -93.04 151.54 19.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.421 ' ND2' ' HG3' ' A' ' 96' ' ' MET . 14.1 p-10 177.61 -166.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.421 ' HG3' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -54.49 -40.12 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' N ' ' SD ' ' A' ' 96' ' ' MET . 4.4 m -65.15 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.8 -135.02 2.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.4 mm? -99.43 154.57 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 p -84.39 129.27 34.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -37.81 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 135.2 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.37 155.88 45.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -92.63 100.26 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 88' ' ' TYR . 3.0 tmm? -93.7 149.89 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -71.66 102.67 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -57.19 -26.6 60.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 -39.63 19.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER 73.0 -162.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.26 130.14 28.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.67 113.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.392 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.0 mm -77.99 139.93 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.784 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 151.8 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -45.2 -53.24 8.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.15 159.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.754 ' N ' HD13 ' A' ' 23' ' ' ILE . 60.0 t -137.07 111.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -122.26 166.16 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 106' ' ' THR . 3.5 mt -108.92 102.78 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.611 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.6 -46.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.42 177.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.34 123.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.8 p90 -130.56 143.92 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 38.35 -119.71 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -107.39 44.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' ILE . 9.1 m120 -143.38 127.5 17.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -113.33 143.39 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.56 119.8 38.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 89' ' ' PHE . 11.1 mt -104.26 151.39 23.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.49 109.24 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 74' ' ' THR . 47.0 p90 -119.91 153.85 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 14.3 p -97.54 161.37 26.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 163.31 35.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.88 28.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.408 1.067 . . . . 0.0 109.353 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 p -64.24 -55.05 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.58 -150.94 5.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -146.72 152.39 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -112.52 135.65 52.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.9 mt -112.78 132.8 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -134.32 118.06 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.681 ' HZ2' HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -115.07 166.97 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' GLU . . . -156.42 162.71 40.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 168.52 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 25.14 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -110.66 -50.93 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -117.66 -22.9 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 76.1 mmm 60.87 43.46 11.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 1.5 mm-40 -89.01 136.98 32.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.94 107.57 19.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.4 m-85 -118.51 114.28 22.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.44 HG21 ' HG3' ' A' ' 69' ' ' GLU . 18.4 m -37.87 124.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.681 HG21 ' HZ2' ' A' ' 56' ' ' LYS . 9.7 t -99.3 -32.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.636 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.27 151.38 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 66' ' ' THR . 5.1 mt-10 -135.58 145.86 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' CD ' ' A' ' 94' ' ' GLU . 10.4 m-70 49.52 45.67 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.38 -176.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.41 -78.65 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -175.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.545 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 73.3 p -108.66 5.86 25.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.07 137.13 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 140.82 39.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.6 m -95.09 114.66 26.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 56' ' ' LYS . 28.8 mm -82.44 157.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 4.0 t -139.26 -167.31 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.554 ' N ' ' OG1' ' A' ' 79' ' ' THR . 7.1 mt-10 50.28 42.25 25.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.549 HD13 HG23 ' A' ' 34' ' ' VAL . 23.3 mt -105.79 132.29 52.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.893 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.3 p -88.21 140.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.18 122.4 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.605 1.191 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.82 -0.81 27.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.893 ' HB2' HG13 ' A' ' 82' ' ' VAL . 12.7 m-20 -116.66 160.32 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -117.23 145.71 43.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.75 ' OH ' HG12 ' A' ' 82' ' ' VAL . 95.1 m-85 -137.24 158.18 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -116.58 164.08 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CD2' HD11 ' A' ' 36' ' ' LEU . 13.0 m-85 -144.37 156.16 44.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.658 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 7.7 mtp85 -154.15 121.05 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.5 t -100.85 136.58 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 4.9 m-85 -118.51 157.0 28.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m -89.23 124.86 34.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' NE2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -103.83 153.24 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 178.93 -172.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.07 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -89.88 32.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 -59.14 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.57 143.06 3.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.2 mm? -40.46 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.812 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -79.73 123.65 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.59 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -110.12 152.22 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.658 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.17 144.26 51.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.4 m -83.24 99.44 9.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.69 143.18 33.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.63 HG21 HD11 ' A' ' 26' ' ' ILE . 71.8 p -48.48 119.52 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -40.37 -31.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.6 pt-20 -132.7 168.97 17.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 97.0 p -90.29 170.21 10.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.87 115.27 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.69 114.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLY . 11.8 mm -64.09 134.19 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.53 29.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -41.4 -56.99 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -152.49 157.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 106' ' ' THR . 83.7 t -136.42 113.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.81 170.95 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -111.49 107.43 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.538 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.22 -46.54 9.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.1 t0 176.74 176.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.659 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -144.06 123.09 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.6 p90 -130.77 149.77 52.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.01 -118.56 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -111.5 27.21 9.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -127.08 136.28 51.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -116.92 153.46 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.85 119.26 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.5 mt -102.03 149.68 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.369 1.043 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.2 p -149.41 110.0 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.609 ' CB ' HG22 ' A' ' 24' ' ' VAL . 49.3 p90 -121.85 151.38 40.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 p -92.84 162.06 29.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.41 25.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.785 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 19.7 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -78.64 -37.27 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . -179.97 -145.73 6.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.785 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.2 m-85 -163.04 124.85 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.5 m -90.32 150.8 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -132.88 145.17 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -143.57 143.8 31.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -112.2 144.47 41.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -133.69 137.08 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 168.63 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -91.21 22.75 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -41.43 5.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -130.67 -41.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.601 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 6.1 mtp 65.42 27.76 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -85.57 7.84 21.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.609 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 42.1 m95 50.04 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 25.7 m-85 -168.05 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -166.86 151.04 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.95 -46.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -157.55 139.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -133.51 128.97 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 76.56 54.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.648 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 2.7 t80 -89.57 -179.97 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.8 -72.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 176.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 26.7 p -110.88 11.15 22.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.33 137.93 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -150.01 139.57 21.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -90.22 132.52 35.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 79' ' ' THR . 5.7 mm -89.82 164.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.8 p -141.5 -172.89 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 42.81 77.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -133.38 127.3 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.007 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.6 p -74.01 138.25 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.0 mt -78.81 132.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.79 21.32 40.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 1.007 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.7 m-20 -131.91 170.11 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -119.07 166.4 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.963 ' OH ' HG12 ' A' ' 82' ' ' VAL . 94.0 m-85 -150.88 171.58 17.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.4 m-85 -137.88 138.33 38.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.81 ' CD2' HD21 ' A' ' 36' ' ' LEU . 50.8 m-85 -119.02 155.19 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.668 ' HD2' ' HB3' ' A' ' 103' ' ' ALA . 11.7 mtm180 -152.37 124.55 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG21 ' CD2' ' A' ' 38' ' ' TRP . 95.7 t -97.77 134.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 38.7 m-85 -120.88 124.2 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -63.79 106.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 162.28 27.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.2 178.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.4 ptp -67.25 -25.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.96 -45.67 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -132.62 3.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 92' ' ' PHE . 3.9 mm? -106.28 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -83.84 128.16 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -44.68 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.99 152.62 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 90' ' ' ARG . . . -128.35 143.52 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -88.91 110.24 20.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.44 145.39 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 24' ' ' VAL . 12.4 p -51.78 121.48 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -30.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -132.59 159.51 39.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -89.21 174.78 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.66 120.67 35.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.6 128.65 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.501 HD13 HG21 ' A' ' 29' ' ' VAL . 24.1 mm -83.21 127.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.6 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.599 1.842 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 150.26 37.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -45.62 -46.53 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -166.26 163.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.38 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' N ' HD13 ' A' ' 23' ' ' ILE . 99.0 t -139.1 114.41 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -124.34 173.54 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -117.78 101.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.708 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -38.84 -41.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.97 179.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.28 122.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 41.4 p90 -132.16 150.2 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.08 -119.99 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -111.98 33.18 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -134.04 124.22 25.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -104.8 151.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.77 120.38 38.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.633 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.9 mt -105.7 152.04 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.708 HG21 ' HG2' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.33 106.65 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CE3' ' O ' ' A' ' 74' ' ' THR . 31.0 p90 -116.28 158.65 23.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.3 p -107.71 155.93 38.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.73 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.424 1.749 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -75.01 151.44 39.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -72.43 -24.11 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' ILE . . . -179.63 -163.81 30.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 45.8 m-85 -143.65 122.53 12.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -85.55 132.15 34.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -114.02 144.68 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -141.57 140.57 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.23 148.53 33.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -153.49 147.54 25.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.9 178.92 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 14.71 10.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -69.05 -50.98 43.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 31.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 47.27 50.94 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 14.2 mt-10 -98.57 136.13 39.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.474 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 13.6 m95 -113.44 154.64 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.49 22.64 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m 60.95 144.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.09 -43.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.43 155.67 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -137.35 141.35 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.454 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 4.9 m170 47.19 66.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -86.3 -167.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ARG . 47.3 t-80 -129.52 -75.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -51.42 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.243 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.566 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 4.7 p -116.87 -0.1 12.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.55 139.12 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.01 139.09 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 97.0 m -97.59 123.68 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.28 156.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 p -136.65 -178.32 5.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 50.93 71.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.36 137.58 47.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.3 128.23 42.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 112' ' ' ILE . 71.4 mt -68.87 130.11 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.64 45.27 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -163.53 158.24 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.9 OUTLIER -117.24 142.05 47.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 10.0 m-85 -131.84 171.82 13.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -126.7 153.75 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 53.0 m-85 -131.15 135.04 47.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.735 ' HG2' ' HB1' ' A' ' 103' ' ' ALA . 1.2 tmm_? -126.77 125.39 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.8 t -106.32 125.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 3.9 m-85 -96.18 -173.77 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 m -130.64 94.64 3.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 99' ' ' LEU . 1.1 mm-40 -69.22 163.79 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.73 -170.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.75 40.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.92 -64.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.77 -146.63 6.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 2.9 mm? -103.28 152.98 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 19.4 p -80.38 127.2 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.16 -26.1 67.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.9 133.23 44.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 90' ' ' ARG . . . -131.5 153.87 49.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 m -105.52 98.33 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.2 ttm -74.01 137.27 43.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.572 HG22 HG12 ' A' ' 24' ' ' VAL . 13.9 p -40.42 121.58 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -128.93 154.24 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 84.0 p -78.3 173.17 12.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.03 125.63 46.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 120.47 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.702 HG22 HG12 ' A' ' 83' ' ' ILE . 21.4 mm -73.48 144.96 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 173.71 14.01 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.59 29.14 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -40.71 -58.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -149.61 161.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 38' ' ' TRP . 71.9 t -137.67 116.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.07 172.81 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.5 mt -113.4 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.74 -46.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.221 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.3 OUTLIER 175.3 178.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 112' ' ' ILE . 4.3 p -147.45 122.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 40.8 p90 -127.97 148.16 50.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.07 -120.84 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -106.78 37.2 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -135.59 138.59 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 29' ' ' VAL . 2.1 t -120.3 148.1 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.96 119.74 36.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' SER . 10.0 mt -104.94 150.6 24.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.19 115.22 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.734 ' CE3' HG21 ' A' ' 91' ' ' VAL . 45.3 p90 -123.75 149.59 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 108.053 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -91.62 159.93 37.59 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.15 35.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.411 1.742 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 139.63 24.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.2 mp . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' ' CE1' ' A' ' 72' ' ' HIS . 19.4 m -92.43 -55.78 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.94 -179.96 18.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.762 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 79.9 m-85 -134.23 124.0 25.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 0.812 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -91.0 120.57 32.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -106.92 155.46 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 7.4 mt-30 -153.28 155.18 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -128.48 150.16 50.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.45 120.15 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -70.74 178.34 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.92 20.59 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -95.61 -46.08 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 36.0 m -120.49 -33.88 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.23 26.18 5.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.65 138.92 39.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.48 ' CD1' ' CZ ' ' A' ' 90' ' ' ARG . 44.8 m95 -88.49 131.68 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -120.8 26.01 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m 62.93 137.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 t -121.75 -45.21 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.37 155.92 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -140.4 152.37 45.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 m80 52.39 57.22 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.533 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.651 ' CE1' ' HB2' ' A' ' 73' ' ' ARG . 1.9 t80 -123.46 129.22 50.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 50' ' ' THR . 16.6 m-70 -87.23 -104.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.651 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 36.1 -158.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -144.78 20.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.604 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 1.3 p -160.06 177.93 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.617 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -159.9 142.38 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.5 m -107.88 111.96 24.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 89' ' ' PHE . 8.5 mm -82.08 145.09 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -130.92 -178.34 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.56 65.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.51 150.88 40.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -100.62 133.13 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.65 HG23 ' HA ' ' A' ' 113' ' ' ALA . 97.7 mt -72.46 144.91 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.65 46.8 6.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -167.74 163.13 14.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.71 148.34 42.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 36.8 m-85 -133.68 157.51 45.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -109.19 159.72 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' HG13 ' A' ' 78' ' ' ILE . 42.4 m-85 -149.77 134.88 18.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' CD1' ' A' ' 64' ' ' TRP . 36.7 ptt180 -137.98 130.79 29.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.6 1.187 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.734 HG21 ' CE3' ' A' ' 38' ' ' TRP . 85.4 t -101.11 129.52 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 1.9 m-85 -105.08 174.82 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.8 m -119.84 119.34 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG2' HD13 ' A' ' 99' ' ' LEU . 1.1 mm-40 -114.0 173.34 6.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 172.42 -72.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.8 -59.63 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.488 ' C ' HD22 ' A' ' 99' ' ' LEU . . . 157.55 -128.05 2.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 99' ' ' LEU . 1.3 mm? -102.37 156.96 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.6 p -73.26 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -33.6 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.99 148.46 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -120.59 154.4 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -89.55 99.07 12.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.02 152.32 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 26' ' ' ILE . 65.8 p -59.63 123.0 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -40.53 -31.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -140.35 165.73 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 p -88.02 167.38 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 120.28 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -85.8 122.21 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 29' ' ' VAL . 31.8 mm -79.61 141.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.65 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -54.6 40.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -157.02 151.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' A' ' 104' ' ' THR . 61.7 t -131.7 111.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 173.54 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mt -112.7 107.68 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.509 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -42.41 -47.49 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.237 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.473 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.5 t0 177.78 178.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -148.14 123.33 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 21.7 p90 -130.38 145.83 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 40.34 -118.99 1.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.33 33.78 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -131.87 130.57 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.54 147.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.68 118.51 35.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.9 mt -97.04 147.19 24.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.61 115.04 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.73 ' CD2' HG21 ' A' ' 91' ' ' VAL . 46.3 p90 -131.36 152.3 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 6.9 p -97.47 157.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.747 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.94 119.81 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.747 HD13 ' HG2' ' A' ' 41' ' ' PRO . 5.3 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -87.64 -51.63 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 -153.46 6.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -152.05 119.6 6.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 0.723 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.8 m -87.74 142.29 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.72 155.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -149.07 133.75 17.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -111.39 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.37 146.39 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' OD1' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -100.28 168.95 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 28.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' CD ' ' HB2' ' A' ' 61' ' ' SER . 0.0 OUTLIER -100.48 -34.86 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -169.54 31.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 0.0 110.047 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' SER . 24.7 ttm 34.39 55.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.11 112.7 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.0 m95 -91.68 118.44 30.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.97 117.34 26.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 m -38.16 109.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 9.5 t -86.99 -48.44 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -150.82 137.72 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.29 138.0 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 40.51 75.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.58 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.56 -165.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.86 -72.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 165.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.061 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.434 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 10.9 p -98.76 0.79 45.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.1 142.52 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.31 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.5 m -117.0 106.38 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 mm -73.8 142.01 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -131.38 177.34 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.8 59.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.51 140.18 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.7 129.25 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 112' ' ' ILE . 26.1 mt -70.83 122.3 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.89 48.73 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -170.83 160.69 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.53 163.11 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE1' ' OD1' ' A' ' 58' ' ' ASP . 92.9 m-85 -147.64 153.08 38.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 34.6 m-85 -114.51 152.4 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 4.6 m-85 -145.65 156.24 43.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 ptt180 -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.79 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 71.5 t -99.05 147.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.643 ' HB3' HD12 ' A' ' 99' ' ' LEU . 77.5 m-85 -112.17 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.2 m -126.07 91.11 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.98 148.92 48.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 2.9 p-10 -167.44 176.47 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.74 24.58 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -122.67 -50.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . 161.41 151.0 6.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -51.55 159.73 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 p -72.39 132.13 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -37.1 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.82 154.59 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 91' ' ' VAL . . . -128.35 153.98 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.42 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.3 m -77.52 99.99 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.3 ttp -78.88 144.77 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 26' ' ' ILE . 22.4 p -55.9 119.31 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -30.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.33 -178.4 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 p -112.05 166.5 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 115.69 27.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.8 t -101.1 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.7 mm -78.89 124.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 173.99 13.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.76 28.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.752 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -43.11 -60.73 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 160.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 23' ' ' ILE . 53.7 t -134.5 115.79 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' THR . 3.3 ptpt -127.63 167.79 15.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -110.37 110.21 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -45.63 -45.59 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.498 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER 176.24 178.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 HD13 ' A' ' 112' ' ' ILE . 2.7 p -147.21 122.99 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 22.9 p90 -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 37.22 -119.57 0.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -106.37 39.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -139.37 131.74 28.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.2 t -116.53 149.99 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.2 120.57 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD21 ' CD1' ' A' ' 89' ' ' PHE . 22.6 mt -103.63 146.87 27.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.3 p -149.43 113.18 5.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.387 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.508 ' CZ2' ' C ' ' A' ' 74' ' ' THR . 35.4 p90 -119.32 151.67 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.05 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.537 ' CG2' HG22 ' A' ' 23' ' ' ILE . 20.4 p -92.33 161.39 32.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 162.14 37.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.578 1.83 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.87 31.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.424 HG21 ' CE2' ' A' ' 52' ' ' TYR . 4.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -49.22 -49.6 42.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -170.39 -134.4 1.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 51' ' ' GLY . 29.9 m-85 -166.97 128.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.596 ' HB ' HD12 ' A' ' 99' ' ' LEU . 4.1 m -95.04 121.13 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -107.73 142.71 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -141.09 137.05 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -113.99 150.86 33.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.118 . . . . 0.0 109.222 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.11 122.19 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.51 168.28 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 10.17 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -76.53 -49.38 16.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -147.09 19.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HE2' ' CZ2' ' A' ' 64' ' ' TRP . 0.7 OUTLIER 37.22 48.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -90.52 130.48 36.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 11.6 m95 -105.26 130.1 53.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -137.67 44.29 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 67' ' ' VAL . 16.0 m 55.49 166.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 66' ' ' THR . 2.6 t -151.25 -44.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.641 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -146.71 148.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -144.65 135.51 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m80 72.05 61.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.681 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -111.32 124.18 51.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.26 -41.6 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.29 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.508 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 2.3 p -137.17 19.39 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.598 ' O ' ' CE2' ' A' ' 71' ' ' TYR . 2.1 p -138.35 154.5 48.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.48 162.37 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.5 m -132.73 102.2 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 89' ' ' PHE . 4.4 mm -73.96 158.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -139.86 -172.13 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.05 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' A' ' 87' ' ' TYR . 65.8 mt -129.9 148.59 51.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 85' ' ' ASN . 1.9 p -86.44 133.94 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.781 HG23 ' HA ' ' A' ' 113' ' ' ALA . 88.8 mt -79.77 120.07 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.63 7.33 34.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.843 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -120.96 167.49 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -110.68 168.01 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.687 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.2 m-85 -152.75 147.54 26.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -119.89 137.47 54.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 78' ' ' ILE . 15.5 m-85 -129.72 159.32 36.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -153.51 143.3 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' CD2' ' A' ' 38' ' ' TRP . 77.5 t -104.69 143.99 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -122.3 142.98 49.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.16 125.01 33.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.606 ' HG2' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -119.25 157.74 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -179.39 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -175.95 -37.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.2 p -54.15 -47.66 71.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 123.25 101.49 1.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.557 1.16 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.76 HD22 ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER 33.97 -148.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.724 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 p -138.4 151.29 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -34.37 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.22 169.13 18.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.13 123.39 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -58.17 98.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.6 ttm -71.02 149.53 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 26' ' ' ILE . 13.0 p -51.47 115.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.7 OUTLIER -39.82 -31.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.9 pt-20 -127.08 172.13 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -97.69 174.35 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.069 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -125.02 122.35 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.35 128.45 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.719 HD13 HG21 ' A' ' 29' ' ' VAL . 20.1 mm -84.37 146.5 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.781 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.8 13.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 165.3 31.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -49.66 74.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -156.92 163.55 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 HG22 ' A' ' 106' ' ' THR . 59.7 t -141.15 120.5 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 161.61 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 106' ' ' THR . 1.3 mp -100.46 101.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.48 -51.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.6 -177.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 3.6 p -140.21 121.26 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ASN . 26.3 p90 -141.03 146.84 37.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 107.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . 44.83 39.57 6.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.924 ' O ' HD12 ' A' ' 81' ' ' LEU . 19.3 mt-10 69.4 6.09 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 30' ' ' TRP . 9.2 m-80 -97.21 119.73 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.736 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -96.65 132.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -100.18 117.62 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 89' ' ' PHE . 24.5 mt -92.08 146.9 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.706 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.59 108.8 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.413 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.5 p90 -120.98 152.81 38.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.3 p -90.25 161.17 38.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.7 mp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.35 -178.29 45.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.546 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 38.8 m-85 -126.24 129.5 49.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 14.4 m -101.01 128.74 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -112.22 145.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -151.71 155.06 37.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.73 ' HG3' HG21 ' A' ' 67' ' ' VAL . 33.0 mtmt -111.53 158.48 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -157.77 116.19 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.6 178.31 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 17.59 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -58.34 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -152.15 24.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.491 ' HE3' ' CD2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER 51.12 42.19 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -80.02 133.27 36.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 54.0 m95 -112.87 129.57 56.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 107.977 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.25 -87.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.84 145.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.73 HG21 ' HG3' ' A' ' 56' ' ' LYS . 30.8 t -128.53 -44.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 1.7 tt -154.04 148.2 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.202 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.74 138.37 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m80 70.63 50.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.665 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -89.81 -178.83 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -139.41 -55.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 16.4 p -109.56 -0.9 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.44 148.71 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.11 130.49 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.1 m -87.58 137.7 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 79' ' ' THR . 37.9 mm -100.0 165.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.486 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 p -146.05 -179.63 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.188 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 51.77 70.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 32' ' ' GLU . 46.2 mt -129.08 132.85 47.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -85.74 131.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 112' ' ' ILE . 96.6 mt -77.37 111.61 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.98 -33.78 2.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -102.67 157.22 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -103.4 167.84 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 57.4 m-85 -151.24 146.72 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 20.6 m-85 -110.91 156.25 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.736 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 31.6 m-85 -137.62 156.67 47.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 40.0 ptt180 -152.46 133.28 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 38' ' ' TRP . 81.3 t -107.6 154.14 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 1.129 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 69.5 m-85 -130.99 -171.92 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -138.99 92.79 2.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.472 1.107 . . . . 0.0 110.063 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 94' ' ' GLU . 5.0 mm-40 -64.74 162.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 97' ' ' CYS . 5.3 p30 -177.64 -157.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.2 ptp -89.68 31.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.8 t -136.46 -58.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 138.44 97.64 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.538 HD23 ' CB ' ' A' ' 92' ' ' PHE . 2.6 mp 30.25 -140.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.96 142.41 44.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.405 1.066 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -30.36 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.91 154.65 50.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 1.129 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -126.38 153.7 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.2 m -85.51 99.04 10.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.445 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ttp -76.74 162.34 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 24' ' ' VAL . 35.1 p -74.78 124.06 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -32.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 106' ' ' THR . 68.6 mt-10 -145.11 166.91 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 p -88.44 172.66 9.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.84 29.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.34 109.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 83' ' ' ILE . 26.8 mm -58.64 139.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.81 13.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.06 42.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.9 -54.6 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.67 163.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 HG22 ' A' ' 106' ' ' THR . 61.7 t -140.49 115.76 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -126.15 170.15 12.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -112.89 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.634 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.64 -43.43 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 172.09 177.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.47 122.72 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 14.5 p90 -129.71 147.67 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.46 -121.56 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -107.13 40.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 0.764 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -140.09 131.56 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -115.17 146.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.42 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD21 ' CD2' ' A' ' 89' ' ' PHE . 23.3 mt -104.79 151.23 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.634 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.5 108.13 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 91' ' ' VAL . 46.6 p90 -118.93 154.07 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 p -95.8 161.05 28.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.23 23.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.531 1.806 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.679 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -74.96 137.65 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.9 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -69.1 -58.54 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.91 18.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -131.77 137.26 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -87.95 141.63 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.77 141.55 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.572 ' HA ' HG23 ' A' ' 67' ' ' VAL . 11.5 mt-30 -141.37 150.55 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.807 ' HD3' HD12 ' A' ' 78' ' ' ILE . 38.0 mtmt -121.77 158.57 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.73 157.29 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' OD1' ' CE2' ' A' ' 87' ' ' TYR . 1.7 m-20 -101.05 173.89 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 19.31 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -36.55 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 m -116.99 -31.01 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 62.45 15.97 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.11 122.35 14.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 89.5 m95 -91.38 117.03 29.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 108.082 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -116.3 134.83 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.2 m -61.58 117.17 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 56' ' ' LYS . 87.9 t -88.5 -48.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -153.72 163.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.537 ' H ' HD13 ' A' ' 68' ' ' ILE . 2.4 mt-10 -139.39 150.59 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.57 66.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.23 -174.25 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.078 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.15 -73.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.646 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -61.75 -173.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 48.8 p -114.61 -4.28 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.0 143.57 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.32 128.79 10.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -76.89 137.51 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HD3' ' A' ' 56' ' ' LYS . 40.2 mm -100.27 162.0 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 78' ' ' ILE . 3.9 p -140.42 -175.65 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.08 . . . . 0.0 110.385 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 51.76 73.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -138.64 125.34 20.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.931 HG12 ' OH ' ' A' ' 87' ' ' TYR . 8.9 p -78.95 145.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.441 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 70.1 mt -87.38 99.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.86 -24.34 2.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.623 ' HB2' HG13 ' A' ' 82' ' ' VAL . 7.0 m120 -104.92 165.23 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HB3' HG13 ' A' ' 111' ' ' VAL . 17.2 pm0 -124.45 157.56 34.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.931 ' OH ' HG12 ' A' ' 82' ' ' VAL . 32.3 m-85 -139.15 168.28 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -119.34 158.08 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CD2' HD21 ' A' ' 36' ' ' LEU . 32.3 m-85 -136.02 144.83 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.809 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 18.7 mtp85 -143.32 118.57 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.56 HG21 ' CE3' ' A' ' 38' ' ' TRP . 91.5 t -98.97 138.38 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 7.6 m-85 -117.55 175.17 5.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.4 m -115.35 130.18 56.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.99 159.75 24.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.78 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 22.4 mtt -149.34 -53.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.47 -130.3 2.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -101.06 139.24 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p -55.37 121.17 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -48.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.2 149.9 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.185 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.809 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -123.57 140.58 52.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -82.61 102.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.15 140.35 35.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.612 HG22 HG12 ' A' ' 24' ' ' VAL . 22.6 p -45.83 124.26 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.11 -35.07 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.45 165.45 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -92.11 172.4 8.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.8 116.57 29.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -105.79 108.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.476 HD13 HG21 ' A' ' 29' ' ' VAL . 13.1 mm -58.47 120.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.48 24.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -60.91 -43.35 98.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.743 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -168.24 160.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.743 ' N ' HD13 ' A' ' 23' ' ' ILE . 67.5 t -136.84 112.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -121.32 172.75 7.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.6 mt -114.97 109.15 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.571 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -47.31 -46.55 25.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 174.38 179.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 HD13 ' A' ' 112' ' ' ILE . 1.6 p -147.01 129.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.4 p90 -134.84 151.25 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.62 -118.65 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -110.41 34.24 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -131.1 150.83 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.1 t -130.04 152.41 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -119.23 118.58 31.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mt -101.96 152.23 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.571 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.55 107.81 3.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.43 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 74' ' ' THR . 45.9 p90 -114.81 161.06 18.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' HG22 ' A' ' 23' ' ' ILE . 15.6 p -103.48 159.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.23 23.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.419 1.747 . . . . 0.0 111.041 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.77 35.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -44.08 -43.94 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . 179.35 -156.36 18.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 6.1 m-85 -143.15 114.11 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -81.91 134.48 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.497 HD11 ' CH2' ' A' ' 38' ' ' TRP . 3.3 mt -116.42 142.03 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -142.86 141.32 31.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -114.39 158.14 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.27 161.99 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.41 177.85 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 18.82 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -149.4 20.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.1 mmm 56.97 36.95 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.91 128.62 36.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 73.6 m95 -107.92 132.73 53.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.062 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -131.53 117.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 98.3 m -37.58 123.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 -45.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -155.1 135.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -125.79 139.26 53.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 m80 64.95 55.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.638 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.42 -165.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -140.98 -70.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.559 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 173.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 38.7 p -106.93 6.87 29.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.33 146.34 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.23 133.75 14.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.3 m -82.52 130.19 35.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 79' ' ' THR . 3.9 mm -99.28 166.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.474 ' N ' HG22 ' A' ' 78' ' ' ILE . 9.0 t -155.21 -152.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.5 OUTLIER 48.85 42.69 20.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.51 HD22 ' CD1' ' A' ' 87' ' ' TYR . 96.7 mt -107.11 142.82 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.93 108.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.4 mt -42.49 148.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.06 52.78 5.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -175.04 163.84 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.68 141.02 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD1' HD22 ' A' ' 81' ' ' LEU . 40.1 m-85 -129.11 155.93 44.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 37.0 m-85 -109.99 174.88 5.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 52.2 m-85 -159.79 142.53 13.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -141.93 121.08 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.714 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 94.7 t -97.24 132.57 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.973 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 19.8 m-85 -103.92 -172.26 2.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 m -129.64 97.6 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.944 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.72 157.27 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 9.5 p-10 172.78 -174.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.6 mmt -47.79 -43.98 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -76.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.34 -124.4 1.16 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.1 mm? -97.86 129.16 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 0.757 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 9.3 p -44.62 147.77 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 100' ' ' SER . 25.1 t70 -162.82 171.82 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.973 ' HB2' ' CD1' ' A' ' 92' ' ' PHE . . . -125.42 146.79 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.545 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -74.16 104.78 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.23 138.87 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.588 HG21 HD11 ' A' ' 26' ' ' ILE . 19.6 p -50.64 121.67 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -33.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.2 -178.71 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.4 p -107.8 165.29 11.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.49 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.75 122.15 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.196 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -75.35 138.81 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.85 13.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.12 33.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.449 1.762 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.34 -56.88 16.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -152.18 158.51 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' HG22 ' A' ' 106' ' ' THR . 36.7 t -138.38 115.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.26 174.81 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -114.47 107.63 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.766 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.07 -48.17 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.37 177.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.062 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' A' ' 34' ' ' VAL . 1.4 p -145.48 122.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.1 p90 -127.09 131.47 50.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 45.78 -115.56 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.02 33.57 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 9.4 m120 -133.04 130.35 39.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -117.86 149.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -117.2 115.6 25.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 26' ' ' ILE . 6.5 mt -98.92 153.14 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.766 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -150.24 106.94 3.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD1' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -117.57 149.91 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.0 p -95.88 156.92 36.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.82 15.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.78 41.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 52' ' ' TYR . 2.6 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -55.07 -49.17 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -163.26 -148.73 5.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.08 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 3.9 m-85 -154.19 122.53 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 0.706 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.8 m -87.11 130.44 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -113.69 140.94 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.555 ' HA ' HG23 ' A' ' 67' ' ' VAL . 35.9 mt-30 -147.21 140.59 25.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' H ' HG23 ' A' ' 67' ' ' VAL . 31.3 pttt -114.33 167.86 10.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -157.58 125.46 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 165.12 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 24.59 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -100.37 -44.91 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' MET . 49.5 m -134.18 8.31 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.061 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' SER . 6.4 mtp 36.55 46.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 39.3 mt-10 -96.29 141.82 29.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.444 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 60.1 m95 -107.02 137.42 45.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -121.53 -86.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.4 112.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG23 ' HA ' ' A' ' 55' ' ' GLN . 73.6 t -88.9 -46.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.694 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -152.75 156.52 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.1 142.25 47.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 44.79 71.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.637 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.12 -155.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -142.92 -71.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.7 p -116.7 -0.3 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 143.41 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.18 144.75 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 71.8 m -95.12 135.86 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.27 142.75 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -122.82 171.87 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 59.6 66.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.1 mt -129.99 127.73 40.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.895 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.7 p -79.73 140.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.727 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.6 mt -82.28 101.43 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.92 -27.08 2.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.716 ' HB2' HG13 ' A' ' 82' ' ' VAL . 6.5 m120 -99.21 154.71 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 153.61 23.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 110.382 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.895 ' OH ' HG12 ' A' ' 82' ' ' VAL . 92.0 m-85 -139.41 154.17 47.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 22.7 m-85 -108.48 172.17 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.734 ' CD1' HD11 ' A' ' 36' ' ' LEU . 30.4 m-85 -154.06 142.24 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' ARG . 29.6 ptt180 -141.35 119.86 12.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 38' ' ' TRP . 96.5 t -97.06 141.88 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.627 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 37.4 m-85 -113.24 -171.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -128.46 97.97 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 155.75 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 176.82 -176.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -25.81 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -66.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.7 -132.71 2.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.6 mm? -102.89 135.0 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 t -43.21 136.93 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.55 -40.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.0 172.79 12.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -131.54 129.52 41.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 m -66.21 100.99 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 2.9 tmm? -80.39 151.24 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' VAL . 32.6 p -81.18 101.8 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -22.5 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.52 -35.21 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t 65.08 171.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -119.64 116.05 25.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 t -94.03 102.89 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.1 mm -52.68 146.98 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.075 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.727 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.1 42.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -42.93 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.5 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -171.99 163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 104' ' ' THR . 78.0 t -140.14 119.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.212 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 1.7 mtmt -128.42 170.99 12.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.158 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -116.33 103.46 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.765 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.84 -46.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 171.63 178.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -148.01 122.31 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 11.0 p90 -129.61 153.91 47.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 35.76 -120.28 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 79' ' ' THR . 35.4 mt-10 -110.89 44.63 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.803 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -143.36 137.46 28.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' A' ' 81' ' ' LEU . 1.9 t -117.82 147.03 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.51 117.33 29.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.0 mt -104.49 152.15 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.765 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.82 110.64 4.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.786 ' CD1' HG11 ' A' ' 91' ' ' VAL . 33.5 p90 -118.9 150.48 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.061 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.5 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.7 p -95.8 160.37 30.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.77 30.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 138.47 23.27 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.372 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 49' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -39.03 -46.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.9 -159.87 16.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -136.51 122.46 20.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -81.78 156.37 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -134.77 156.36 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -156.25 131.04 9.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.797 ' HZ1' HD11 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -117.9 156.58 28.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -154.75 144.44 21.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.23 165.14 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.38 26.32 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -40.94 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -117.55 -23.19 7.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.3 mtp 60.84 24.71 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 53.0 mt-10 -79.49 138.37 37.53 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 78.4 m95 -107.89 129.3 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 p90 -134.41 119.66 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 69' ' ' GLU . 92.4 m -38.52 118.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.411 HG21 ' HD2' ' A' ' 56' ' ' LYS . 2.4 t -94.46 -35.96 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.585 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -157.44 157.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 66' ' ' THR . 5.8 mt-10 -144.44 152.88 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 52.29 61.26 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.632 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.759 ' HE2' ' HB2' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -103.22 122.86 45.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.23 -58.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -53.58 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.493 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 46.8 p -136.36 26.45 3.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 2.0 p -151.96 155.0 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' ' HE2' ' A' ' 71' ' ' TYR . . . -154.35 157.89 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -114.46 106.47 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.797 HD11 ' HZ1' ' A' ' 56' ' ' LYS . 12.8 mm -79.3 159.51 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.8 t -143.48 -155.56 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.3 mt-10 42.96 46.95 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.589 ' CD1' HG23 ' A' ' 34' ' ' VAL . 69.7 mt -106.34 140.34 39.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 85' ' ' ASN . 8.6 p -97.67 139.77 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.59 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.0 mt -84.58 101.98 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.46 -13.44 3.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 82' ' ' VAL . 7.8 m120 -115.56 155.64 27.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 167.54 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.575 ' OH ' HG12 ' A' ' 82' ' ' VAL . 97.5 m-85 -154.23 155.4 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.4 m-85 -110.74 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.3 m-85 -158.92 149.69 19.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.8 ptt180 -157.36 132.21 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.23 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 38' ' ' TRP . 92.8 t -104.7 139.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 44.0 m-85 -103.07 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -127.34 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 142.92 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -164.82 -167.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -57.96 -45.59 86.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.7 m -61.24 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.254 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.47 -124.8 0.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.7 mm? -102.18 163.74 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -79.83 137.12 36.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -33.89 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -137.84 157.22 46.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.52 149.75 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -78.64 102.34 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.77 134.44 33.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.659 HG21 HD11 ' A' ' 26' ' ' ILE . 54.6 p -45.0 120.83 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.68 -30.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' THR . 41.0 mt-10 -133.58 175.4 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -99.44 169.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.12 115.07 28.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.02 109.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 83' ' ' ILE . 21.8 mm -63.25 142.58 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.21 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.65 14.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.44 24.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 17.1 mt-30 -38.08 -51.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.613 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.09 161.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' ILE . 22.2 t -137.52 118.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -126.53 170.82 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.9 mt -114.71 109.81 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -46.46 -42.74 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.23 179.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 HD13 ' A' ' 112' ' ' ILE . 2.2 p -147.41 122.66 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 38.4 p90 -133.91 157.93 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 107.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.6 -122.1 1.24 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.69 43.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 3.3 p30 -142.01 146.88 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.7 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 1.4 t -122.83 138.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -104.69 117.37 33.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.1 mt -103.42 152.57 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.8 109.71 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 74' ' ' THR . 43.9 p90 -118.07 148.08 42.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.518 ' CG2' HG22 ' A' ' 23' ' ' ILE . 48.1 p -91.36 160.84 36.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 156.88 42.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 154.16 41.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -49.39 -61.55 2.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.47 -156.9 9.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -139.03 150.28 45.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ILE . 75.7 m -110.53 140.88 44.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.92 147.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -148.52 132.28 16.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 67' ' ' VAL . 9.6 pttt -111.03 154.55 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -149.8 168.21 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' CG ' ' CE1' ' A' ' 87' ' ' TYR . 1.9 t0 -124.77 176.36 6.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 18.86 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -80.15 -52.38 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -155.56 24.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.9 mmm 51.15 36.97 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.12 131.26 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 85.7 m95 -103.83 130.93 51.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.45 107.58 10.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -38.89 113.13 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG22 ' HD3' ' A' ' 56' ' ' LYS . 46.4 t -83.82 -42.69 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -159.45 167.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.3 mm-40 -139.71 146.66 39.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CD2' ' OE1' ' A' ' 94' ' ' GLU . 2.6 m80 47.67 67.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.92 177.9 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -67.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 171.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 23.7 p -110.6 10.57 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.26 144.33 36.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.72 135.01 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.4 m -88.62 130.1 35.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 79' ' ' THR . 6.6 mm -92.06 162.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 1.2 t -136.14 -173.74 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.581 ' N ' ' OG1' ' A' ' 79' ' ' THR . 23.9 mt-10 55.39 54.29 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 87' ' ' TYR . 70.7 mt -117.69 132.57 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.855 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.4 p -92.82 140.44 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 113' ' ' ALA . 83.1 mt -81.23 100.49 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.71 -34.0 1.72 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.644 ' HB2' HG13 ' A' ' 82' ' ' VAL . 7.3 m120 -95.4 160.56 14.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HG2' HG22 ' A' ' 111' ' ' VAL . 21.6 mt-10 -105.17 167.71 9.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.855 ' OH ' HG12 ' A' ' 82' ' ' VAL . 96.7 m-85 -152.4 151.01 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 32.2 m-85 -110.12 177.95 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.083 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.721 ' CD1' HD11 ' A' ' 36' ' ' LEU . 48.7 m-85 -160.16 155.84 25.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.593 1.183 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' NH2' ' NE1' ' A' ' 64' ' ' TRP . 52.8 mtm180 -156.96 125.46 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 38' ' ' TRP . 91.4 t -101.83 129.5 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 10.5 m-85 -116.32 128.98 56.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.4 m -68.72 149.26 49.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.437 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -130.3 165.39 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.73 -67.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.31 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.6 m -59.24 -54.48 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 108.278 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.47 -141.71 6.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.39 172.17 8.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.0 p -80.42 130.96 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -42.15 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.78 152.72 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -129.59 145.96 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 24' ' ' VAL . 55.2 m -95.64 106.51 18.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -88.82 146.65 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 105' ' ' MET . 40.6 p -52.49 124.31 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -29.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 12.2 mt-10 -140.99 164.06 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -85.17 173.08 10.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 86' ' ' GLU . 41.6 t -87.2 117.29 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.658 HD13 HG21 ' A' ' 29' ' ' VAL . 31.1 mm -71.19 144.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.207 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.48 128.69 4.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -166.43 165.49 17.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.07 -166.97 12.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -177.86 120.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.773 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.02 130.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.25 117.25 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.57 152.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -141.56 66.13 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.4 tt -162.12 146.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 109.225 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.61 87.4 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.082 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.85 82.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -101.69 87.17 3.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -119.73 96.45 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG22 ' OD1' ' A' ' 46' ' ' ASN . 2.4 pp -66.44 146.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 t0 175.15 159.52 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 101' ' ' GLU . 13.2 mtp180 -44.1 136.29 3.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -74.92 140.1 25.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.02 177.14 52.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.27 16.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 148.67 35.85 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.779 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' OE1' ' CE ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -43.55 -46.81 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.563 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -161.58 165.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' HB ' ' A' ' 104' ' ' THR . 92.5 t -140.95 119.52 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.49 175.41 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -118.33 108.26 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -45.69 -47.06 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 t0 172.83 -179.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.29 125.56 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 35.7 p90 -136.68 158.56 44.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.81 -120.85 0.89 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.16 41.87 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 6.4 p30 -142.78 145.23 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -120.58 145.81 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.19 117.13 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 89' ' ' PHE . 4.7 mt -101.93 153.89 19.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.659 HG21 ' HG2' ' A' ' 27' ' ' GLU . 1.1 p -148.02 108.32 4.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.8 p90 -116.29 151.93 34.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.057 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 23' ' ' ILE . 39.8 p -94.05 160.78 31.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.6 30.9 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.71 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' CE ' ' OE1' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -93.97 -8.56 39.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -87.49 -71.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' HA ' HD11 ' A' ' 49' ' ' ILE . 29.9 t0 39.66 58.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.0 74.75 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' HG22 ' A' ' 15' ' ' ILE . 5.0 t-20 178.51 -65.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.234 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . . . -136.1 118.46 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' THR . . . -40.18 110.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mp -47.04 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ALA . 1.3 m -47.74 -53.35 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -175.48 -144.99 5.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.679 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 57.3 m-85 -155.05 121.95 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' ILE . 2.0 m -81.89 131.02 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -108.53 144.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -139.51 128.82 24.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -110.9 150.48 29.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.7 154.13 33.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.99 167.19 10.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -91.24 27.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.58 -48.17 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 m -124.51 -2.2 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.0 mtp 45.7 34.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.6 mm-40 -83.93 134.88 34.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.486 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.7 m95 -102.66 123.52 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -121.99 116.31 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -39.96 114.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 78' ' ' ILE . 53.1 t -89.08 -46.57 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -156.86 143.69 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.79 159.15 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.7 m80 42.02 55.6 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.667 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 76' ' ' ALA . 1.8 t80 -79.15 -171.4 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -70.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 173.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 39.9 p -104.47 3.3 31.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.36 140.4 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -144.1 139.01 28.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.6 m -92.7 116.68 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.579 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 mm -75.77 161.77 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.4 p -139.21 -173.28 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 48.4 65.62 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.4 mt -124.38 135.73 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.88 129.52 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -73.32 136.73 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.93 50.3 2.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -176.79 173.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' CG ' HG22 ' A' ' 111' ' ' VAL . 11.5 mp0 -121.17 164.41 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.19 158.26 40.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 30.5 m-85 -109.33 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 29.7 m-85 -162.13 143.8 10.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HD2' ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -139.36 138.58 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 38' ' ' TRP . 74.7 t -106.45 129.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CE2' ' HD2' ' A' ' 90' ' ' ARG . 9.9 m-85 -102.43 175.33 5.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 m -127.31 124.07 37.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.505 ' CG ' HD13 ' A' ' 99' ' ' LEU . 1.4 mt-10 -120.28 179.37 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 3.0 p30 168.53 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 0.0 109.21 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.68 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -61.67 2.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.03 -140.2 6.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.505 HD13 ' CG ' ' A' ' 94' ' ' GLU . 3.1 mm? -94.14 137.9 32.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 0.736 . . . . 0.0 109.227 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 t -54.65 131.44 43.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -52.95 -43.39 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.11 152.08 28.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 90' ' ' ARG . . . -131.1 136.8 48.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 23' ' ' ILE . 44.6 m -77.62 99.32 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.3 137.37 36.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 26' ' ' ILE . 23.0 p -48.32 121.89 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -40.2 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' THR . 47.1 mt-10 -137.71 173.72 11.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 p -97.25 162.85 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.45 120.78 40.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.493 HG22 ' CG ' ' A' ' 86' ' ' GLU . 97.3 t -86.52 117.23 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.681 HD13 HG21 ' A' ' 29' ' ' VAL . 34.4 mm -73.76 137.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -175.51 148.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.53 62.66 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.9 169.58 24.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -161.74 121.88 1.06 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 118' ' ' ILE . 7.3 tptt -103.45 119.46 38.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 118' ' ' ILE . 12.7 mt -78.27 81.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -87.76 18.17 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 119' ' ' TYR . 6.7 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -148.94 170.5 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 167.97 17.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.05 -168.03 36.09 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.21 169.01 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 110.028 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -66.86 151.04 48.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.08 107.64 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.2 101.34 8.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 t -177.5 137.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pt -89.75 99.25 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ILE . 88.9 m-20 -143.3 166.19 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 12' ' ' ILE . 77.6 mt 38.32 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -96.23 131.91 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mt -108.21 92.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -50.91 179.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 1.3 t70 81.36 174.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -51.52 153.27 3.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.16 27.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.07 -174.67 34.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.02 13.52 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.485 1.781 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 142.12 27.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -39.85 -54.32 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.72 161.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.658 ' N ' HD13 ' A' ' 23' ' ' ILE . 45.0 t -137.21 115.5 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.42 174.3 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.7 mt -118.14 101.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.678 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.78 -43.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.94 170.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.628 HG23 ' CG2' ' A' ' 34' ' ' VAL . 5.3 p -138.72 122.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.438 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 45.9 p90 -133.26 147.81 51.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.9 -122.73 1.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -107.85 35.23 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -136.61 124.47 22.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.628 ' CG2' HG23 ' A' ' 29' ' ' VAL . 1.8 t -108.99 145.58 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.27 120.54 42.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.54 152.01 22.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.678 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.16 107.55 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.2 p90 -116.31 152.04 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 4.1 p -91.31 161.3 35.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.43 37.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.41 32.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -75.47 -7.06 53.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 46' ' ' ASN . 1.6 t70 -144.26 115.41 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.96 91.93 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.48 -40.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 43' ' ' ASP . 2.7 m-80 -50.28 -51.02 48.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB1' ' OD1' ' A' ' 95' ' ' ASN . . . -131.14 109.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.43 113.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.41 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mt -71.9 93.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -58.93 5.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 71' ' ' TYR . . . -158.08 -161.65 11.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.8 m-85 -138.21 132.84 32.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 0.72 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.464 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 68.5 m -100.78 135.56 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -117.86 143.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 17.0 mt-30 -143.67 144.18 31.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.687 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.21 126.44 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.15 162.0 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 26.58 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -99.14 -43.27 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 4.1 m -141.58 14.98 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 mtp 41.26 43.69 2.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.8 mt-10 -94.9 132.62 39.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.687 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 1.9 m95 -111.6 151.89 28.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 108.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -140.24 -83.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -169.0 145.47 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 78' ' ' ILE . 53.2 t -126.38 -44.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.682 ' CG2' HD12 ' A' ' 54' ' ' ILE . 1.1 tp -157.93 149.87 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.36 142.06 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.1 m80 63.97 57.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 68' ' ' ILE . 1.7 t80 -99.95 168.8 9.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -126.45 -62.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.46 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 13.9 p -104.11 -0.12 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 144.38 44.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -147.08 135.18 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.2 m -87.11 115.15 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.1 mm -74.21 153.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -136.45 176.45 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 59.33 60.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.33 142.49 50.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.4 t -94.62 134.02 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 113' ' ' ALA . 70.2 mt -80.18 124.15 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.67 35.68 2.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -164.08 175.8 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -123.87 165.17 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.06 159.77 41.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.416 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.7 m-85 -109.36 172.85 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CG ' ' C ' ' A' ' 88' ' ' TYR . 73.2 m-85 -158.4 147.72 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -152.37 130.9 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.504 HG22 HG12 ' A' ' 54' ' ' ILE . 69.9 t -97.49 148.25 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.689 ' CZ ' ' HB2' ' A' ' 103' ' ' ALA . 38.3 m-85 -122.84 142.0 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -91.08 104.66 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 53' ' ' THR . 0.9 OUTLIER -89.75 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 95' ' ' ASN . 0.1 OUTLIER 177.97 -164.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -81.81 55.71 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.46 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.79 166.11 31.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.393 1.058 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.43 165.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.99 165.65 23.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -21.03 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -156.02 171.46 20.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.689 ' HB2' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.89 134.06 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.3 m -64.3 100.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -82.51 141.39 32.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 108' ' ' GLU . 31.9 p -51.69 123.66 10.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -30.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 106' ' ' THR . 15.4 pt-20 -127.54 179.35 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 p -107.56 170.57 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.49 119.35 39.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.3 t -90.54 120.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 29' ' ' VAL . 25.7 mm -72.84 151.94 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.515 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -175.31 151.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -94.11 88.06 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -170.17 126.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -130.17 87.52 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 118' ' ' ILE . 1.4 pttp -148.42 175.67 10.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER 61.96 130.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -144.27 124.33 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.94 . . . . . . . . 0 0 . 1 . 003 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 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p 48.23 92.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -65.98 149.93 49.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.12 165.54 16.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -135.15 -58.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.064 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -145.81 153.01 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.54 90.29 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.08 90.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.372 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.88 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.39 68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -114.58 102.41 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.35 83.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -88.51 140.45 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -124.23 99.68 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.3 pt -56.79 152.73 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 162.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -45.27 170.19 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HB2' ' CB ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -74.99 119.69 5.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.11 151.56 38.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.98 13.59 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 142.42 27.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -46.1 -61.32 1.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -145.47 157.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 38' ' ' TRP . 73.5 t -136.83 113.18 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -126.92 174.0 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -113.29 111.69 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -48.54 -44.67 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.33 175.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.84 123.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 12.2 p90 -125.7 127.43 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.35 -121.45 2.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.51 40.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 24.5 m-80 -142.57 128.63 19.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.4 t -119.46 153.66 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.25 121.29 35.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD21 ' CD2' ' A' ' 89' ' ' PHE . 16.1 mt -104.39 151.5 23.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.61 111.17 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.5 ' HB2' HG22 ' A' ' 24' ' ' VAL . 48.1 p90 -122.88 151.54 41.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -96.92 159.29 31.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.53 36.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 146.44 32.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -3.35 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.64 139.03 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -165.96 103.17 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.09 -53.97 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.562 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 2.2 p30 -100.74 105.73 17.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 46' ' ' ASN . . . 75.34 91.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 145.12 40.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.758 HG21 ' OH ' ' A' ' 52' ' ' TYR . 4.5 mp -64.51 109.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -70.07 -60.32 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.9 -161.57 11.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.758 ' OH ' HG21 ' A' ' 49' ' ' ILE . 82.4 m-85 -145.4 112.72 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -80.16 136.46 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.2 mt -119.82 129.36 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -137.26 146.93 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.86 ' CE ' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -119.59 154.02 34.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -148.61 120.55 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.78 176.53 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 17.45 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -74.66 -52.32 12.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -150.87 22.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.16 35.36 5.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mt-10 -86.46 132.6 33.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 90' ' ' ARG . 15.6 m95 -107.66 153.8 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 107.958 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' THR . 22.9 m-85 -132.62 -83.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 170.78 138.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.86 HG21 ' CE ' ' A' ' 56' ' ' LYS . 2.6 t -118.95 -44.06 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -150.03 156.9 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -142.44 150.43 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.3 m80 63.61 39.88 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.558 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -89.41 137.0 32.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.159 . . . . 0.0 110.918 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -122.06 35.88 4.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.548 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 178.34 4.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.4 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 12.4 p -122.49 10.98 9.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.02 144.52 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -94.19 138.4 32.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.41 HD12 ' CE ' ' A' ' 56' ' ' LYS . 15.1 mm -103.57 154.14 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -137.02 176.75 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.427 1.079 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.56 64.08 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.3 mt -127.05 128.24 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.7 p -79.95 143.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.38 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 113' ' ' ALA . 74.1 mt -86.78 104.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.22 -21.51 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 82' ' ' VAL . 70.4 m-20 -99.8 156.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.79 153.81 28.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.637 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.5 m-85 -140.02 170.82 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 26.2 m-85 -129.06 138.09 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.847 ' CD2' HD21 ' A' ' 36' ' ' LEU . 33.5 m-85 -112.05 138.8 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -142.82 118.6 10.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.82 133.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 86.9 m-85 -111.45 -174.96 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . 15.8 m -129.55 141.68 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.424 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 1.4 mt-10 -112.06 166.41 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 94' ' ' GLU . 1.1 m-80 168.1 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -21.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 m -75.61 -77.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.27 -138.76 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.6 mm? -93.94 144.13 25.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 0.741 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.2 t -53.18 139.14 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -33.88 72.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.092 . . . . 0.0 110.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.29 152.18 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -119.29 140.28 50.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -75.25 99.55 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.445 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 1.6 ttp -81.07 146.19 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.0 p -58.31 129.23 41.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.447 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.66 -29.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -134.76 -174.84 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 90.9 p -111.52 167.6 10.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.33 118.52 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 111' ' ' VAL . 3.0 t -93.97 100.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 83' ' ' ILE . 12.1 mm -47.74 144.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.754 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -177.32 150.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.03 62.54 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.29 115.84 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -143.48 53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 127.82 44.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 69.42 131.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.71 145.77 30.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 p 55.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.033 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -139.5 -59.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 131.93 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -168.04 147.32 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.966 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -114.69 -51.97 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.74 80.46 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.67 157.71 19.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 0.746 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.31 109.82 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.75 148.78 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER 62.49 154.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' ILE . 75.4 mt 38.39 85.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.85 123.06 49.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -120.67 97.96 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 pp -50.78 160.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.44 164.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.15 136.82 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.71 42.62 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.91 -156.86 30.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 146.45 32.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -40.55 -57.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -151.85 163.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.2 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 106' ' ' THR . 38.5 t -140.92 114.5 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.4 167.52 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -110.39 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.638 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.56 -45.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.79 176.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -146.78 124.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 29.7 p90 -137.12 155.93 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.039 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.73 -120.78 2.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -114.71 24.51 11.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.586 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 12.8 p30 -126.87 133.37 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -111.17 154.2 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -117.81 119.51 35.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 89' ' ' PHE . 20.3 mt -104.31 151.66 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.638 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.56 107.57 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.554 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -119.15 153.97 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 p -96.0 159.64 31.8 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 144.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -6.03 49.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -127.88 124.51 37.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -164.18 85.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.11 -70.39 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.12 -60.88 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.81 138.66 36.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.39 15.95 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.382 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp 47.41 93.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 p -50.74 -42.48 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.46 -154.73 10.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -145.33 133.96 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -84.32 149.85 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 HG22 ' A' ' 68' ' ' ILE . 3.1 mt -131.74 148.94 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.761 ' HA ' HG23 ' A' ' 67' ' ' VAL . 25.1 mt-30 -150.85 141.86 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HD3' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.59 156.7 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -157.68 148.02 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.97 172.33 7.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 22.84 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -44.69 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.08 -25.88 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.4 mmm 61.19 18.05 8.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.53 133.46 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.539 ' CH2' ' HG3' ' A' ' 90' ' ' ARG . 96.0 m95 -93.28 120.73 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -115.51 111.04 20.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -38.63 122.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.761 HG23 ' HA ' ' A' ' 55' ' ' GLN . 95.9 t -93.59 -48.66 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -158.68 157.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -129.29 140.55 51.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 53.67 48.9 20.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HG21 ' A' ' 68' ' ' ILE . 3.9 t80 -62.68 -176.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.72 -77.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.523 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.65 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 3.0 p -97.6 -7.91 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.01 136.97 54.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.38 151.45 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.3 m -106.53 125.95 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 79' ' ' THR . 5.0 mm -87.87 163.04 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.44 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.7 p -142.2 -173.23 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 44.1 74.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -131.95 165.38 24.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -110.82 137.01 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.6 mt -82.87 113.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.96 -17.98 9.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 82' ' ' VAL . 2.1 m-20 -101.21 165.98 11.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.38 167.86 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.384 1.052 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.556 ' OH ' HG12 ' A' ' 82' ' ' VAL . 45.8 m-85 -148.18 170.15 18.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' ALA . 11.2 m-85 -136.82 145.71 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 29.3 m-85 -130.1 158.73 38.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 31.6 mtm180 -157.9 119.03 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG21 ' CE3' ' A' ' 38' ' ' TRP . 93.6 t -96.51 134.49 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -116.82 137.58 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -73.09 103.07 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG2' ' CD2' ' A' ' 99' ' ' LEU . 1.9 tm-20 -84.88 151.71 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 40.7 p-10 -168.33 -175.95 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.51 28.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.34 -55.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 161.81 132.48 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 3.0 mp -43.39 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -70.84 142.2 51.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.82 62.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 165.55 23.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.591 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -131.21 150.69 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' HG21 ' A' ' 24' ' ' VAL . 21.9 m -89.85 99.93 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.01 144.91 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 24' ' ' VAL . 17.5 p -46.13 119.83 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.84 157.3 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 p -78.27 175.45 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.6 126.19 48.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.61 108.71 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.532 HD13 HG21 ' A' ' 29' ' ' VAL . 14.9 mm -57.02 145.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.68 151.09 5.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -87.85 42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.231 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.88 118.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.66 166.21 23.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 156.53 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.526 HG22 ' H ' ' A' ' 119' ' ' TYR . 3.9 mt -91.71 -133.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.526 ' H ' HG22 ' A' ' 118' ' ' ILE . 4.4 m-85 -127.54 19.0 6.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -164.31 -63.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -173.43 168.28 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.44 -95.5 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m 63.08 147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.49 165.4 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.01 -61.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.46 172.06 7.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.403 0.707 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 t -98.91 10.52 41.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.46 112.02 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.6 99.03 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.19 83.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.0 148.84 23.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -126.68 100.94 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 26.3 mt -55.29 155.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 1.2 t0 77.73 176.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.15 155.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.21 19.68 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.527 1.803 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.18 -162.65 36.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.62 28.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.51 -51.05 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.895 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.0 159.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 23' ' ' ILE . 74.9 t -135.55 113.68 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 172.37 7.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 106' ' ' THR . 4.4 mt -121.27 98.95 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -38.86 -47.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.08 179.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -147.43 123.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.9 p90 -130.26 148.06 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.27 -120.2 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.34 35.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 110.208 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -135.28 128.88 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -112.61 148.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -114.29 118.52 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.087 . . . . 0.0 109.41 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 89' ' ' PHE . 11.8 mt -106.74 150.31 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 27' ' ' GLU . 1.2 p -147.78 106.82 3.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.0 p90 -116.87 152.21 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 23' ' ' ILE . 4.9 p -92.71 157.75 39.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.98 36.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -75.01 150.41 38.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.769 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -83.67 -6.62 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.69 154.07 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 178.06 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.77 -83.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -42.35 -55.05 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.56 80.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.63 121.57 6.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.637 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.7 mp -59.01 151.35 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.384 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 p -117.26 -46.45 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.35 -167.13 17.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -144.98 128.53 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 68' ' ' ILE . 36.5 m -90.76 147.6 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -129.27 149.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HA ' HG23 ' A' ' 67' ' ' VAL . 24.0 mt-30 -146.78 156.28 43.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -124.66 154.59 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' C ' ' A' ' 62' ' ' MET . . . -156.28 111.77 2.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -53.94 167.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 24.48 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.14 -49.74 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -120.83 -12.12 8.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.532 ' C ' ' HB1' ' A' ' 57' ' ' ALA . 4.7 ptm 45.29 27.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -75.4 130.59 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 43.5 m95 -93.34 119.96 33.07 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.127 . . . . 0.0 107.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -113.16 -69.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 166.36 143.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 78' ' ' ILE . 30.5 t -125.22 -44.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -156.26 165.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' H ' HD13 ' A' ' 68' ' ' ILE . 4.0 mt-10 -142.05 151.51 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 39.71 85.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.534 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -111.63 -172.48 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.75 -72.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 176.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.553 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 62.5 p -110.31 11.22 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.42 142.52 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.14 143.67 26.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 1.189 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.5 m -93.11 124.97 37.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 67' ' ' VAL . 10.6 mm -90.53 138.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -118.54 178.14 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.45 60.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -121.79 136.08 54.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.52 132.64 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -75.89 138.68 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.51 30.35 7.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -164.63 162.43 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.602 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -115.89 164.05 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 12.0 m-85 -148.28 168.21 23.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.5 m-85 -108.63 -175.23 2.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.694 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 70.8 m-85 -161.62 150.36 15.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.906 ' CD ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -130.96 158.37 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG11 ' CG ' ' A' ' 38' ' ' TRP . 60.1 t -145.25 102.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 18.0 m-85 -80.43 -172.64 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 63.4 m -132.56 91.63 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.37 143.78 52.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.501 ' OD1' ' CB ' ' A' ' 97' ' ' CYS . 5.5 p30 -172.79 148.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.377 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.0 ptp -39.93 -36.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.501 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . 0.1 OUTLIER -65.11 -73.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 169.41 144.57 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' GLY . 2.8 mp -42.81 163.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -81.55 132.26 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -42.06 42.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.25 153.71 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.906 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . . . -131.27 145.14 51.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.604 ' O ' HG21 ' A' ' 24' ' ' VAL . 19.8 m -71.79 97.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 1.7 tmm? -82.52 140.58 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.835 HG21 HD11 ' A' ' 26' ' ' ILE . 21.0 p -39.94 119.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.59 -30.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 106' ' ' THR . 30.1 mt-10 -129.44 -174.0 3.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 12.2 t -106.13 163.67 12.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' GLU . . . -106.54 124.18 49.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 86' ' ' GLU . 55.5 t -91.22 127.56 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.626 HD13 HG21 ' A' ' 29' ' ' VAL . 25.4 mm -83.32 148.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -177.88 153.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.13 43.41 1.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.2 147.11 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.46 -125.9 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.582 1.176 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.63 155.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.386 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 119' ' ' TYR . 1.5 mt -96.7 -141.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.494 ' H ' HG22 ' A' ' 118' ' ' ILE . 1.3 m-85 -132.94 18.04 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -164.91 167.92 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -172.5 161.27 5.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.062 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.09 -156.75 27.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -150.42 158.76 44.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 0.811 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -131.11 169.88 15.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.048 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.75 -72.22 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.79 83.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -43.26 139.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.09 129.96 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -154.2 158.76 40.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -76.18 83.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -91.13 146.27 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG22 ' H ' ' A' ' 15' ' ' ILE . 1.2 mt -128.81 -150.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 ' H ' HG22 ' A' ' 14' ' ' ILE . 12.7 mm 37.07 73.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -112.66 178.07 4.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 57.88 101.32 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.62 19.98 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.22 -160.17 38.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.47 14.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -51.25 -59.75 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -145.66 161.06 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.652 ' N ' HD13 ' A' ' 23' ' ' ILE . 83.5 t -136.86 114.78 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.17 175.5 6.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.1 mt -119.04 101.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.36 -44.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER 174.72 178.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.22 122.72 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 38.1 p90 -131.33 148.83 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 107.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.13 -119.94 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -109.26 25.46 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -126.64 124.55 40.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.548 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.3 t -107.12 159.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -124.24 120.95 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 89' ' ' PHE . 13.0 mt -104.71 151.78 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.58 108.3 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.697 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -116.7 152.91 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.517 ' CG2' HG22 ' A' ' 23' ' ' ILE . 17.7 p -96.49 159.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.09 34.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -88.13 -6.42 57.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -110.62 95.23 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -142.25 86.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.38 -46.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 3.1 m120 -105.0 49.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.608 0.828 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 46' ' ' ASN . . . 178.4 171.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.48 102.94 5.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.5 mp -47.89 114.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -84.03 -37.44 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . 175.43 -141.22 5.6 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 61.0 m-85 -161.02 164.62 30.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.2 m -121.44 150.58 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 68' ' ' ILE . 2.9 mp -129.95 137.84 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -146.65 124.78 12.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -111.16 160.9 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.87 160.76 43.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.74 162.95 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 27.18 2.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -41.93 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.5 m -143.86 19.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.5 mtp 37.23 38.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -78.63 122.27 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.542 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 90.0 m95 -93.82 125.03 38.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -125.28 115.96 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -41.05 118.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.449 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.15 -50.26 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -149.97 164.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -149.74 145.38 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 0.2 OUTLIER 58.2 57.54 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.588 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -87.88 -164.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -141.07 -67.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 171.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 23.9 p -105.78 -4.33 20.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.06 139.96 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.9 138.76 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -92.03 121.8 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.67 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -133.16 177.7 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 57.52 65.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.1 mt -129.14 132.78 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -87.49 129.4 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 95.8 mt -71.56 126.01 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.97 46.19 0.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -173.12 162.69 4.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.58 148.61 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -135.25 153.39 51.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -110.41 169.11 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 36' ' ' LEU . 68.0 m-85 -151.62 153.44 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 27.3 mtp85 -150.23 122.8 8.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.697 HG21 ' CE3' ' A' ' 38' ' ' TRP . 57.6 t -110.29 143.16 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 3.6 m-85 -116.17 -160.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 99' ' ' LEU . 15.6 m -136.7 122.12 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.554 ' HG2' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -98.28 152.24 19.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 35.5 p-10 -176.34 -163.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -69.83 -35.08 74.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.449 ' N ' ' SD ' ' A' ' 96' ' ' MET . 7.2 t -69.08 -74.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.221 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 170.62 -152.61 19.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -88.3 -159.91 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 p -117.24 148.32 41.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -31.01 65.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -135.82 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.61 152.37 50.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.431 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.5 m -87.56 100.88 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.158 . . . . 0.0 110.507 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -83.11 144.02 30.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.634 HG22 HG12 ' A' ' 24' ' ' VAL . 71.7 p -51.14 125.56 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -29.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 106' ' ' THR . 36.3 mt-10 -139.07 169.0 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.3 p -91.0 171.29 9.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.5 121.37 45.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -86.8 111.98 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -68.6 141.53 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -162.91 159.15 23.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 42.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.33 154.06 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.0 -76.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.14 -173.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.7 mt -107.3 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.95 17.73 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.11 90.56 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -122.41 142.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 69.49 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.133 . . . . 0.0 111.06 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -113.18 97.1 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.0 p -130.92 143.66 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.81 -166.9 18.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.1 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.91 133.23 56.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -59.61 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -129.85 56.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 53.78 93.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -74.78 83.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.97 124.62 45.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -127.45 101.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -68.99 111.35 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.01 157.26 11.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.373 1.046 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -44.29 142.3 2.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 144.54 30.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 -167.72 42.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.47 33.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.397 1.735 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -39.68 -56.57 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -154.07 162.74 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 23' ' ' ILE . 49.9 t -141.82 113.04 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 171.19 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.782 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.8 mt -114.97 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.809 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.95 -44.33 14.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.4 t0 173.78 178.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -147.58 123.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 16.6 p90 -128.41 141.17 51.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.87 -120.75 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.087 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.37 28.83 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 22.7 m-80 -128.55 128.94 45.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.6 t -115.88 157.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.58 119.81 30.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.1 mt -104.67 149.98 25.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.809 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.61 109.66 4.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.2 p90 -122.8 151.82 41.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 108.059 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -95.53 159.43 32.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.94 4.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -7.15 59.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -94.74 -49.59 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HA ' HD11 ' A' ' 49' ' ' ILE . 30.6 t0 61.61 112.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.07 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 171.68 44.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.364 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' A' ' 96' ' ' MET . . . -150.73 28.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 52.72 101.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 44' ' ' ASP . 2.5 mp -47.97 95.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' ALA . 18.9 m -52.25 -59.9 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.22 -139.55 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -154.3 148.41 25.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -107.5 138.34 43.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 110.466 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.32 141.06 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -145.38 140.63 27.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 78' ' ' ILE . 7.9 pttt -120.48 136.53 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.825 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -122.64 161.55 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -101.58 163.42 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.33 16.44 16.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -32.48 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -41.96 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 8.1 mtp 64.0 35.38 10.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -83.93 9.64 11.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.825 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 84.9 m95 45.61 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 108.044 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 174.26 119.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -50.66 110.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -86.45 -42.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -161.54 165.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.1 mm-40 -139.03 158.6 43.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' ND1' ' OE1' ' A' ' 94' ' ' GLU . 4.7 m-70 38.81 61.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.532 ' CD1' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -80.23 -165.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -136.05 -71.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 166.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 18.2 p -98.41 2.17 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.9 151.64 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -155.44 145.61 21.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 53.9 m -96.78 123.73 40.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.41 HG21 ' HD2' ' A' ' 56' ' ' LYS . 6.0 mm -85.53 143.36 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -126.49 177.55 6.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 57.32 64.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -124.24 136.36 54.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.5 t -85.98 130.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.821 HG23 ' HA ' ' A' ' 113' ' ' ALA . 85.1 mt -75.96 129.87 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.33 43.23 1.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -171.79 163.96 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.16 158.48 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -139.93 167.76 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.472 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 20.7 m-85 -120.44 140.37 51.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 36' ' ' LEU . 54.3 m-85 -123.59 146.41 48.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.529 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 25.6 ptt180 -148.91 124.61 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 38' ' ' TRP . 98.9 t -101.05 131.33 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 30.3 m-85 -107.19 178.26 4.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 m -111.93 113.41 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.448 ' OE1' ' ND1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -83.25 158.94 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 47' ' ' ALA . 2.1 m-20 165.97 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.51 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 24.1 ptp -42.07 -28.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -70.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.69 153.01 6.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 92' ' ' PHE . 3.6 mm? -50.99 144.19 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 p -73.18 133.17 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -41.22 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.84 140.96 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -130.39 148.62 52.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 23' ' ' ILE . 26.7 m -82.51 99.74 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.1 ttp -82.66 154.14 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.56 HG21 HD11 ' A' ' 26' ' ' ILE . 36.1 p -67.65 125.39 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.76 -30.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 106' ' ' THR . 24.6 mt-10 -130.39 -175.9 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -111.48 165.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.57 118.24 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.26 125.83 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 83' ' ' ILE . 22.9 mm -91.04 128.71 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.821 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -166.82 149.76 6.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.449 ' CG ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.46 59.01 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.75 -61.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.25 130.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.63 ' HD3' HD12 ' A' ' 118' ' ' ILE . 1.2 mmtp -56.48 -165.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.63 HD12 ' HD3' ' A' ' 117' ' ' LYS . 1.9 mp -139.17 -131.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.53 ' H ' HG22 ' A' ' 118' ' ' ILE . 11.8 m-85 -147.26 -136.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 64.33 126.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.9 112.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.65 -151.55 7.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.14 150.95 30.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -147.55 144.92 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.4 -115.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.17 63.49 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.711 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t -95.76 121.67 37.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.072 . . . . 0.0 109.963 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.1 tt -116.99 115.68 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -146.64 104.46 3.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ASP . 74.9 mt 38.48 88.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.91 111.23 8.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 15' ' ' ILE . 1.2 mt -120.39 -149.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.569 ' H ' HG22 ' A' ' 14' ' ' ILE . 1.1 pt -68.72 135.61 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -142.87 16.44 1.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 56.66 161.73 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' ND2' ' A' ' 95' ' ' ASN . 18.2 Cg_endo -74.99 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.26 156.69 23.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.05 13.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -47.77 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.81 164.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' N ' HD13 ' A' ' 23' ' ' ILE . 48.8 t -139.94 117.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -127.18 171.97 10.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -116.05 105.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -41.41 -46.9 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.1 t0 177.02 178.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.1 p -147.6 122.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 19.6 p90 -123.58 130.75 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.57 -119.32 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -97.78 40.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 13.9 m-80 -140.0 133.57 30.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.0 t -123.28 147.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.99 118.43 32.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 89' ' ' PHE . 43.0 mt -99.54 149.25 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.27 108.42 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.484 ' CE2' ' O ' ' A' ' 74' ' ' THR . 49.0 p90 -119.7 151.33 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 23' ' ' ILE . 42.6 p -91.77 160.79 35.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.616 1.198 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.26 41.58 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.85 24.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -85.86 -13.76 46.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.96 -176.3 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -155.43 -48.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.8 -74.83 2.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -170.14 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.8 109.17 7.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.383 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.09 117.97 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.6 mp -40.56 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -67.84 -58.14 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -144.45 3.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -154.92 120.35 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -92.29 128.57 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -107.27 153.09 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' HG23 ' A' ' 67' ' ' VAL . 66.7 mt-30 -148.41 139.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.5 pttt -117.35 148.7 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.68 138.9 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -81.74 174.59 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 20.63 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -83.35 -50.54 8.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -155.24 33.59 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . 12.7 ttm 34.45 56.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 10.7 mt-10 -93.67 125.85 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.228 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 58.4 m95 -107.95 125.51 51.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.67 21.29 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m 62.0 132.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LYS . 67.0 t -105.54 -44.53 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.456 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -162.63 153.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.87 145.74 51.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 52.45 58.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 3.2 t80 -73.68 -171.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -129.85 -77.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.587 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.484 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 2.5 p -109.89 -7.16 15.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.31 143.96 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -139.51 130.91 26.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.3 m -85.25 121.01 27.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 5.8 mm -94.11 149.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.9 t -141.11 -149.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 110.373 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.7 mt-10 41.97 33.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 87' ' ' TYR . 34.0 mt -93.67 153.04 18.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.2 t -112.21 124.03 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.784 HG23 ' HA ' ' A' ' 113' ' ' ALA . 37.0 mt -64.05 138.12 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.53 39.25 5.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -162.63 157.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.0 pm0 -119.49 133.27 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.5 ' CD1' HD22 ' A' ' 81' ' ' LEU . 38.6 m-85 -123.83 170.05 10.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 12.6 m-85 -120.57 -179.13 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.598 ' CD2' HD21 ' A' ' 36' ' ' LEU . 60.1 m-85 -160.53 134.5 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' NH2' ' CD1' ' A' ' 64' ' ' TRP . 40.3 ptt180 -139.44 128.41 23.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.77 126.96 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 67.4 m-85 -103.05 -176.17 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -118.8 109.33 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -93.04 151.54 19.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.421 ' ND2' ' HG3' ' A' ' 96' ' ' MET . 14.1 p-10 177.61 -166.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.421 ' HG3' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -54.49 -40.12 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' N ' ' SD ' ' A' ' 96' ' ' MET . 4.4 m -65.15 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.8 -135.02 2.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.4 mm? -99.43 154.57 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 p -84.39 129.27 34.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -37.81 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 135.2 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.37 155.88 45.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -92.63 100.26 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 88' ' ' TYR . 3.0 tmm? -93.7 149.89 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -71.66 102.67 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -57.19 -26.6 60.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 -39.63 19.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER 73.0 -162.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.26 130.14 28.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.67 113.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.392 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.0 mm -77.99 139.93 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.784 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -170.93 159.02 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HG2' HD13 ' A' ' 83' ' ' ILE . 4.8 mtp180 -79.81 54.79 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -173.09 163.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -117.42 137.88 13.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -79.33 142.2 36.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 0.729 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 118' ' ' ILE . 2.1 mp -68.17 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.563 ' H ' HG22 ' A' ' 118' ' ' ILE . 8.2 m-85 -149.42 -137.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.35 133.96 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.91 169.63 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.85 160.97 1.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.79 -55.49 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 62.8 125.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 94.92 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.0 -59.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.72 76.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.639 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -127.07 143.36 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.79 110.66 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.97 87.77 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -102.93 91.61 4.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -134.56 104.98 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 pp -59.16 156.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.96 150.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.37 149.8 97.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.31 2.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.83 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.3 -164.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 151.8 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -45.2 -53.24 8.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.15 159.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.754 ' N ' HD13 ' A' ' 23' ' ' ILE . 60.0 t -137.07 111.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -122.26 166.16 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 106' ' ' THR . 3.5 mt -108.92 102.78 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.611 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.6 -46.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.42 177.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.34 123.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.8 p90 -130.56 143.92 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 38.35 -119.71 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -107.39 44.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' ILE . 9.1 m120 -143.38 127.5 17.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -113.33 143.39 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.56 119.8 38.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 89' ' ' PHE . 11.1 mt -104.26 151.39 23.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.49 109.24 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 74' ' ' THR . 47.0 p90 -119.91 153.85 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 14.3 p -97.54 161.37 26.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 163.31 35.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.88 28.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -9.33 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.408 1.067 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -130.99 170.07 14.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -140.18 -53.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.75 49.25 6.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 59.77 77.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.535 ' HB1' ' OD1' ' A' ' 95' ' ' ASN . . . -173.3 179.92 2.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.12 108.08 8.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.653 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.0 mp -57.07 98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 p -64.24 -55.05 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.58 -150.94 5.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -146.72 152.39 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -112.52 135.65 52.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.9 mt -112.78 132.8 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -134.32 118.06 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.681 ' HZ2' HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -115.07 166.97 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' GLU . . . -156.42 162.71 40.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 168.52 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 25.14 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -110.66 -50.93 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -117.66 -22.9 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 76.1 mmm 60.87 43.46 11.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 1.5 mm-40 -89.01 136.98 32.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.94 107.57 19.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.4 m-85 -118.51 114.28 22.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.44 HG21 ' HG3' ' A' ' 69' ' ' GLU . 18.4 m -37.87 124.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.681 HG21 ' HZ2' ' A' ' 56' ' ' LYS . 9.7 t -99.3 -32.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.636 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.27 151.38 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 66' ' ' THR . 5.1 mt-10 -135.58 145.86 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' CD ' ' A' ' 94' ' ' GLU . 10.4 m-70 49.52 45.67 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.38 -176.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.41 -78.65 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -175.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.545 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 73.3 p -108.66 5.86 25.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.07 137.13 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 140.82 39.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.6 m -95.09 114.66 26.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 56' ' ' LYS . 28.8 mm -82.44 157.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 4.0 t -139.26 -167.31 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.554 ' N ' ' OG1' ' A' ' 79' ' ' THR . 7.1 mt-10 50.28 42.25 25.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.549 HD13 HG23 ' A' ' 34' ' ' VAL . 23.3 mt -105.79 132.29 52.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.893 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.3 p -88.21 140.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.18 122.4 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.605 1.191 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.82 -0.81 27.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.893 ' HB2' HG13 ' A' ' 82' ' ' VAL . 12.7 m-20 -116.66 160.32 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -117.23 145.71 43.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.75 ' OH ' HG12 ' A' ' 82' ' ' VAL . 95.1 m-85 -137.24 158.18 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -116.58 164.08 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CD2' HD11 ' A' ' 36' ' ' LEU . 13.0 m-85 -144.37 156.16 44.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.658 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 7.7 mtp85 -154.15 121.05 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.5 t -100.85 136.58 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 4.9 m-85 -118.51 157.0 28.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m -89.23 124.86 34.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' NE2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -103.83 153.24 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.535 ' OD1' ' HB1' ' A' ' 47' ' ' ALA . 3.1 t-20 178.93 -172.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.07 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -89.88 32.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 -59.14 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.57 143.06 3.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.2 mm? -40.46 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.812 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -79.73 123.65 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.59 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -110.12 152.22 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.658 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.17 144.26 51.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.4 m -83.24 99.44 9.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.69 143.18 33.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.63 HG21 HD11 ' A' ' 26' ' ' ILE . 71.8 p -48.48 119.52 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -40.37 -31.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.6 pt-20 -132.7 168.97 17.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 97.0 p -90.29 170.21 10.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.87 115.27 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.69 114.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLY . 11.8 mm -64.09 134.19 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . -146.52 -178.45 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -126.98 105.62 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.08 163.51 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.47 27.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.46 1.1 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.21 155.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 0.1 OUTLIER 68.79 116.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -96.61 17.4 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.97 153.69 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.961 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.18 165.78 13.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.29 -127.85 2.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -112.32 135.34 53.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.065 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.39 145.73 25.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.12 116.62 1.34 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.32 160.59 32.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.592 0.819 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.64 125.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.947 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 pt -68.79 164.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ILE . 8.2 p30 -142.84 139.13 30.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . 35.6 mt 36.87 88.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.32 115.73 29.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -126.09 97.25 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.68 143.5 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.258 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -173.08 145.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.39 146.99 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 171.96 17.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.11 -173.16 32.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.53 29.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -41.4 -56.99 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -152.49 157.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 106' ' ' THR . 83.7 t -136.42 113.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.81 170.95 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -111.49 107.43 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.538 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.22 -46.54 9.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.1 t0 176.74 176.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.659 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -144.06 123.09 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.6 p90 -130.77 149.77 52.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.01 -118.56 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -111.5 27.21 9.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -127.08 136.28 51.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -116.92 153.46 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.85 119.26 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.5 mt -102.03 149.68 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.369 1.043 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.2 p -149.41 110.0 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.609 ' CB ' HG22 ' A' ' 24' ' ' VAL . 49.3 p90 -121.85 151.38 40.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 p -92.84 162.06 29.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.41 25.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -9.47 48.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -158.43 95.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 45' ' ' GLY . 3.5 p30 -75.97 -45.37 35.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . . . 103.87 -89.87 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -136.05 -55.92 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB1' ' OD1' ' A' ' 95' ' ' ASN . . . -54.58 113.4 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 137.5 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.785 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 19.7 mm -63.22 111.05 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -78.64 -37.27 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . -179.97 -145.73 6.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.785 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.2 m-85 -163.04 124.85 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.5 m -90.32 150.8 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -132.88 145.17 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -143.57 143.8 31.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -112.2 144.47 41.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -133.69 137.08 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 168.63 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -91.21 22.75 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -41.43 5.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -130.67 -41.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.601 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 6.1 mtp 65.42 27.76 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -85.57 7.84 21.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.609 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 42.1 m95 50.04 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 25.7 m-85 -168.05 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -166.86 151.04 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.95 -46.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -157.55 139.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -133.51 128.97 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 76.56 54.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.648 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 2.7 t80 -89.57 -179.97 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.8 -72.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 176.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 26.7 p -110.88 11.15 22.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.33 137.93 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -150.01 139.57 21.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -90.22 132.52 35.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 79' ' ' THR . 5.7 mm -89.82 164.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.8 p -141.5 -172.89 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 42.81 77.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -133.38 127.3 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.007 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.6 p -74.01 138.25 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.0 mt -78.81 132.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.79 21.32 40.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 1.007 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.7 m-20 -131.91 170.11 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -119.07 166.4 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.963 ' OH ' HG12 ' A' ' 82' ' ' VAL . 94.0 m-85 -150.88 171.58 17.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.4 m-85 -137.88 138.33 38.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.81 ' CD2' HD21 ' A' ' 36' ' ' LEU . 50.8 m-85 -119.02 155.19 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.668 ' HD2' ' HB3' ' A' ' 103' ' ' ALA . 11.7 mtm180 -152.37 124.55 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG21 ' CD2' ' A' ' 38' ' ' TRP . 95.7 t -97.77 134.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 38.7 m-85 -120.88 124.2 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -63.79 106.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 162.28 27.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.653 ' OD1' ' HB1' ' A' ' 47' ' ' ALA . 0.7 OUTLIER 179.2 178.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.4 ptp -67.25 -25.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.96 -45.67 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -132.62 3.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 92' ' ' PHE . 3.9 mm? -106.28 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -83.84 128.16 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -44.68 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.99 152.62 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 90' ' ' ARG . . . -128.35 143.52 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -88.91 110.24 20.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.44 145.39 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 24' ' ' VAL . 12.4 p -51.78 121.48 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -30.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -132.59 159.51 39.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -89.21 174.78 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.66 120.67 35.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.6 128.65 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.501 HD13 HG21 ' A' ' 29' ' ' VAL . 24.1 mm -83.21 127.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.54 6.98 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 67.26 19.87 10.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -166.62 158.31 13.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.09 145.76 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.29 154.33 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 64.0 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -157.81 158.01 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 0.817 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.3 147.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.03 -87.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 61.31 151.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 110.047 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.0 155.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.89 -145.97 11.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -139.81 66.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER 161.31 145.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.75 ' C ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -151.73 127.26 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.7 t70 177.31 81.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.198 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 46' ' ' ASN . 97.0 mt -74.86 82.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 53.3 tt0 -130.14 47.08 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' CG1' ' C ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -151.17 87.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 pt -80.7 133.97 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 177.91 149.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -73.83 142.79 80.5 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 128.6 11.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -164.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.6 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.599 1.842 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 150.26 37.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -45.62 -46.53 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -166.26 163.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.38 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' N ' HD13 ' A' ' 23' ' ' ILE . 99.0 t -139.1 114.41 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -124.34 173.54 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -117.78 101.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.708 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -38.84 -41.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.97 179.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.28 122.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 41.4 p90 -132.16 150.2 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.08 -119.99 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -111.98 33.18 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -134.04 124.22 25.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -104.8 151.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.77 120.38 38.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.633 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.9 mt -105.7 152.04 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.708 HG21 ' HG2' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.33 106.65 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CE3' ' O ' ' A' ' 74' ' ' THR . 31.0 p90 -116.28 158.65 23.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.3 p -107.71 155.93 38.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.73 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.424 1.749 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -75.01 151.44 39.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -78.94 -5.56 54.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.82 135.76 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -170.93 70.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.13 -47.42 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.596 1.185 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' HG23 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -121.59 126.39 48.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.41 52.22 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.79 168.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.1 mp -80.94 114.77 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -72.43 -24.11 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' ILE . . . -179.63 -163.81 30.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 45.8 m-85 -143.65 122.53 12.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -85.55 132.15 34.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -114.02 144.68 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -141.57 140.57 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.23 148.53 33.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -153.49 147.54 25.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.9 178.92 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 14.71 10.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -69.05 -50.98 43.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 31.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 47.27 50.94 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 14.2 mt-10 -98.57 136.13 39.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.474 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 13.6 m95 -113.44 154.64 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.49 22.64 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m 60.95 144.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.09 -43.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.43 155.67 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -137.35 141.35 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 4.9 m170 47.19 66.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -86.3 -167.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ARG . 47.3 t-80 -129.52 -75.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -51.42 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.243 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.566 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 4.7 p -116.87 -0.1 12.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.55 139.12 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.01 139.09 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 97.0 m -97.59 123.68 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.28 156.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 p -136.65 -178.32 5.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 50.93 71.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.36 137.58 47.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.3 128.23 42.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 112' ' ' ILE . 71.4 mt -68.87 130.11 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.64 45.27 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -163.53 158.24 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.9 OUTLIER -117.24 142.05 47.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 10.0 m-85 -131.84 171.82 13.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -126.7 153.75 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 53.0 m-85 -131.15 135.04 47.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.735 ' HG2' ' HB1' ' A' ' 103' ' ' ALA . 1.2 tmm_? -126.77 125.39 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.8 t -106.32 125.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 3.9 m-85 -96.18 -173.77 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 m -130.64 94.64 3.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 99' ' ' LEU . 1.1 mm-40 -69.22 163.79 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.73 -170.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.75 40.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.92 -64.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.77 -146.63 6.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 2.9 mm? -103.28 152.98 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 19.4 p -80.38 127.2 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.16 -26.1 67.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.9 133.23 44.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 90' ' ' ARG . . . -131.5 153.87 49.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 m -105.52 98.33 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.2 ttm -74.01 137.27 43.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.572 HG22 HG12 ' A' ' 24' ' ' VAL . 13.9 p -40.42 121.58 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -128.93 154.24 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 84.0 p -78.3 173.17 12.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.03 125.63 46.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 120.47 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.702 HG22 HG12 ' A' ' 83' ' ' ILE . 21.4 mm -73.48 144.96 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -172.17 145.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.59 ' HG3' HD13 ' A' ' 83' ' ' ILE . 1.3 mtp-105 -70.34 60.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -132.32 105.05 7.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.47 118.85 6.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -170.89 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.32 128.24 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -145.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 177.66 133.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 0.806 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -163.85 165.58 22.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.38 155.45 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.27 -45.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 110.032 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m 62.33 154.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.58 147.09 12.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.82 111.01 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -108.86 89.83 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 9' ' ' SER . 4.9 mp 67.05 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.56 151.65 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 12' ' ' ILE . 79.7 mt 38.21 87.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.69 158.29 33.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.74 101.44 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 pt -66.35 -175.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 70.43 -176.07 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.2 169.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 177.17 8.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.43 159.03 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.078 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 173.71 14.01 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.59 29.14 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -40.71 -58.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -149.61 161.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 38' ' ' TRP . 71.9 t -137.67 116.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.07 172.81 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.5 mt -113.4 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.74 -46.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.221 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.3 OUTLIER 175.3 178.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 112' ' ' ILE . 4.3 p -147.45 122.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 40.8 p90 -127.97 148.16 50.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.07 -120.84 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -106.78 37.2 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -135.59 138.59 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 29' ' ' VAL . 2.1 t -120.3 148.1 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.96 119.74 36.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' SER . 10.0 mt -104.94 150.6 24.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.19 115.22 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.734 ' CE3' HG21 ' A' ' 91' ' ' VAL . 45.3 p90 -123.75 149.59 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 108.053 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -91.62 159.93 37.59 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.15 35.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.411 1.742 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 139.63 24.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -6.67 50.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.68 159.7 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 10.1 t0 174.91 111.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.03 -72.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -47.53 -57.48 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.78 104.22 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.92 109.07 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.2 mp -49.85 114.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' ' CE1' ' A' ' 72' ' ' HIS . 19.4 m -92.43 -55.78 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.94 -179.96 18.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.762 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 79.9 m-85 -134.23 124.0 25.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 0.812 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -91.0 120.57 32.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -106.92 155.46 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 7.4 mt-30 -153.28 155.18 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -128.48 150.16 50.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.45 120.15 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -70.74 178.34 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.92 20.59 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -95.61 -46.08 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 36.0 m -120.49 -33.88 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.23 26.18 5.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.65 138.92 39.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.48 ' CD1' ' CZ ' ' A' ' 90' ' ' ARG . 44.8 m95 -88.49 131.68 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -120.8 26.01 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m 62.93 137.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 t -121.75 -45.21 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.37 155.92 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -140.4 152.37 45.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 m80 52.39 57.22 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.533 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.651 ' CE1' ' HB2' ' A' ' 73' ' ' ARG . 1.9 t80 -123.46 129.22 50.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 50' ' ' THR . 16.6 m-70 -87.23 -104.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.651 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 36.1 -158.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -144.78 20.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.604 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 1.3 p -160.06 177.93 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.617 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -159.9 142.38 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.5 m -107.88 111.96 24.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 89' ' ' PHE . 8.5 mm -82.08 145.09 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -130.92 -178.34 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.56 65.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.51 150.88 40.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -100.62 133.13 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.65 HG23 ' HA ' ' A' ' 113' ' ' ALA . 97.7 mt -72.46 144.91 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.65 46.8 6.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -167.74 163.13 14.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.71 148.34 42.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 36.8 m-85 -133.68 157.51 45.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -109.19 159.72 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' HG13 ' A' ' 78' ' ' ILE . 42.4 m-85 -149.77 134.88 18.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' CD1' ' A' ' 64' ' ' TRP . 36.7 ptt180 -137.98 130.79 29.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.6 1.187 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.734 HG21 ' CE3' ' A' ' 38' ' ' TRP . 85.4 t -101.11 129.52 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 1.9 m-85 -105.08 174.82 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.8 m -119.84 119.34 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG2' HD13 ' A' ' 99' ' ' LEU . 1.1 mm-40 -114.0 173.34 6.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.589 ' C ' HD21 ' A' ' 95' ' ' ASN . 0.4 OUTLIER 172.42 -72.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.444 ' HG2' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -148.12 -43.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.8 -59.63 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.488 ' C ' HD22 ' A' ' 99' ' ' LEU . . . 157.55 -128.05 2.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 99' ' ' LEU . 1.3 mm? -102.37 156.96 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.6 p -73.26 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -33.6 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.99 148.46 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -120.59 154.4 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -89.55 99.07 12.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.02 152.32 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 26' ' ' ILE . 65.8 p -59.63 123.0 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -40.53 -31.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -140.35 165.73 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 p -88.02 167.38 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 120.28 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -85.8 122.21 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 29' ' ' VAL . 31.8 mm -79.61 141.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.65 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -172.84 153.06 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.362 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 42.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -116.42 134.1 55.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -111.13 130.04 9.55 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.5 133.75 51.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 119' ' ' TYR . 0.8 OUTLIER -80.53 -142.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.692 ' H ' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER 162.78 120.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m -143.02 -58.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.55 149.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 109.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.06 101.69 1.02 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -174.36 79.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -174.11 163.25 3.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 173.98 22.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.19 89.38 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.02 177.43 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.21 138.64 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.86 121.71 41.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.738 HG22 ' H ' ' A' ' 13' ' ' GLN . 1.4 mt -107.83 -164.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.738 ' H ' HG22 ' A' ' 12' ' ' ILE . 36.4 mt-30 -61.74 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -79.64 0.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.426 ' N ' HD22 ' A' ' 46' ' ' ASN . 11.0 mt -129.16 139.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t0 176.61 168.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 9.0 mtm105 -75.01 145.26 80.74 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.532 ' CD ' ' ND2' ' A' ' 95' ' ' ASN . 18.4 Cg_endo -74.96 -173.03 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . -127.69 -168.99 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -54.6 40.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -157.02 151.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' A' ' 104' ' ' THR . 61.7 t -131.7 111.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 173.54 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mt -112.7 107.68 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.509 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -42.41 -47.49 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.237 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.5 t0 177.78 178.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -148.14 123.33 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 21.7 p90 -130.38 145.83 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 40.34 -118.99 1.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.33 33.78 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -131.87 130.57 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.54 147.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.68 118.51 35.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.9 mt -97.04 147.19 24.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.61 115.04 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.73 ' CD2' HG21 ' A' ' 91' ' ' VAL . 46.3 p90 -131.36 152.3 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 6.9 p -97.47 157.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.747 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.94 119.81 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -89.54 -6.32 56.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.5 t70 -116.26 -43.58 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.2 t70 69.53 -60.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ASP . . . 109.4 -92.48 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 13' ' ' GLN . 1.9 m120 -140.39 -49.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 0.716 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.16 125.36 29.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.41 137.06 54.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.747 HD13 ' HG2' ' A' ' 41' ' ' PRO . 5.3 mp -82.84 124.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -87.64 -51.63 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 -153.46 6.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -152.05 119.6 6.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 0.723 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.8 m -87.74 142.29 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.72 155.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -149.07 133.75 17.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -111.39 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.37 146.39 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' OD1' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -100.28 168.95 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 28.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' CD ' ' HB2' ' A' ' 61' ' ' SER . 0.0 OUTLIER -100.48 -34.86 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -169.54 31.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 0.0 110.047 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' SER . 24.7 ttm 34.39 55.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.11 112.7 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.0 m95 -91.68 118.44 30.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.97 117.34 26.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 m -38.16 109.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 9.5 t -86.99 -48.44 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -150.82 137.72 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.29 138.0 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 40.51 75.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.58 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.56 -165.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.86 -72.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 165.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.061 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.434 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 10.9 p -98.76 0.79 45.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.1 142.52 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.31 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.5 m -117.0 106.38 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 mm -73.8 142.01 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -131.38 177.34 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.8 59.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.51 140.18 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.7 129.25 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 112' ' ' ILE . 26.1 mt -70.83 122.3 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.89 48.73 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -170.83 160.69 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.53 163.11 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE1' ' OD1' ' A' ' 58' ' ' ASP . 92.9 m-85 -147.64 153.08 38.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 34.6 m-85 -114.51 152.4 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 4.6 m-85 -145.65 156.24 43.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 ptt180 -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.79 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 71.5 t -99.05 147.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' HB3' HD12 ' A' ' 99' ' ' LEU . 77.5 m-85 -112.17 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.2 m -126.07 91.11 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.98 148.92 48.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.532 ' ND2' ' CD ' ' A' ' 18' ' ' PRO . 2.9 p-10 -167.44 176.47 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.74 24.58 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -122.67 -50.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . 161.41 151.0 6.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -51.55 159.73 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 p -72.39 132.13 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -37.1 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.82 154.59 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 91' ' ' VAL . . . -128.35 153.98 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.42 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.3 m -77.52 99.99 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.3 ttp -78.88 144.77 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 26' ' ' ILE . 22.4 p -55.9 119.31 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -30.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.33 -178.4 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 p -112.05 166.5 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 115.69 27.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.8 t -101.1 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.7 mm -78.89 124.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -127.41 3.15 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 56.91 24.75 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.72 111.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.64 120.08 5.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -120.76 -175.29 3.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.732 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 118' ' ' ILE . 1.7 mt -119.68 89.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -90.42 21.56 3.84 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.083 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -174.48 164.25 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 0.813 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.41 167.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.07 -145.01 9.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.64 141.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -176.99 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.6 177.35 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.41 -62.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 67.59 160.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.69 137.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ILE . 6.2 t0 176.32 134.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . 55.5 mt 37.27 88.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -110.93 109.95 20.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.06 101.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 pt -60.93 136.28 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.0 164.85 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -63.25 146.89 95.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.19 18.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . 83.79 179.55 52.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 173.99 13.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.76 28.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.752 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -43.11 -60.73 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 160.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 23' ' ' ILE . 53.7 t -134.5 115.79 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' THR . 3.3 ptpt -127.63 167.79 15.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -110.37 110.21 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -45.63 -45.59 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.498 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER 176.24 178.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 HD13 ' A' ' 112' ' ' ILE . 2.7 p -147.21 122.99 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 22.9 p90 -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 37.22 -119.57 0.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -106.37 39.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -139.37 131.74 28.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.2 t -116.53 149.99 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.2 120.57 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD21 ' CD1' ' A' ' 89' ' ' PHE . 22.6 mt -103.63 146.87 27.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.3 p -149.43 113.18 5.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.387 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.508 ' CZ2' ' C ' ' A' ' 74' ' ' THR . 35.4 p90 -119.32 151.67 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.05 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.537 ' CG2' HG22 ' A' ' 23' ' ' ILE . 20.4 p -92.33 161.39 32.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 162.14 37.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.578 1.83 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.87 31.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -5.86 40.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.3 t0 -140.33 99.82 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HD11 ' A' ' 49' ' ' ILE . 9.7 m-20 -39.87 -65.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.53 144.0 11.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -80.56 2.36 25.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -94.65 -7.4 40.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 60.59 120.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.1 mp -70.6 86.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -49.22 -49.6 42.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -170.39 -134.4 1.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 51' ' ' GLY . 29.9 m-85 -166.97 128.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.596 ' HB ' HD12 ' A' ' 99' ' ' LEU . 4.1 m -95.04 121.13 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -107.73 142.71 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -141.09 137.05 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -113.99 150.86 33.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.118 . . . . 0.0 109.222 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.11 122.19 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.51 168.28 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 10.17 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -76.53 -49.38 16.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -147.09 19.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HE2' ' CZ2' ' A' ' 64' ' ' TRP . 0.7 OUTLIER 37.22 48.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -90.52 130.48 36.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 11.6 m95 -105.26 130.1 53.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -137.67 44.29 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 67' ' ' VAL . 16.0 m 55.49 166.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 66' ' ' THR . 2.6 t -151.25 -44.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.641 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -146.71 148.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -144.65 135.51 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m80 72.05 61.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.681 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -111.32 124.18 51.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.26 -41.6 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.29 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.508 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 2.3 p -137.17 19.39 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.598 ' O ' ' CE2' ' A' ' 71' ' ' TYR . 2.1 p -138.35 154.5 48.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.48 162.37 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.5 m -132.73 102.2 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 89' ' ' PHE . 4.4 mm -73.96 158.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -139.86 -172.13 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.05 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' A' ' 87' ' ' TYR . 65.8 mt -129.9 148.59 51.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 85' ' ' ASN . 1.9 p -86.44 133.94 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.781 HG23 ' HA ' ' A' ' 113' ' ' ALA . 88.8 mt -79.77 120.07 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.63 7.33 34.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.843 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -120.96 167.49 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -110.68 168.01 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.687 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.2 m-85 -152.75 147.54 26.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -119.89 137.47 54.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 78' ' ' ILE . 15.5 m-85 -129.72 159.32 36.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -153.51 143.3 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' CD2' ' A' ' 38' ' ' TRP . 77.5 t -104.69 143.99 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -122.3 142.98 49.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.16 125.01 33.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.606 ' HG2' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -119.25 157.74 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -179.39 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -175.95 -37.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.2 p -54.15 -47.66 71.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 123.25 101.49 1.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.557 1.16 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.76 HD22 ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER 33.97 -148.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.724 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 p -138.4 151.29 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -34.37 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.22 169.13 18.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.13 123.39 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -58.17 98.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.6 ttm -71.02 149.53 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 26' ' ' ILE . 13.0 p -51.47 115.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.7 OUTLIER -39.82 -31.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.9 pt-20 -127.08 172.13 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -97.69 174.35 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.069 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -125.02 122.35 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.35 128.45 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.719 HD13 HG21 ' A' ' 29' ' ' VAL . 20.1 mm -84.37 146.5 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.781 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -166.65 141.76 4.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.544 ' HG3' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -72.42 58.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -168.9 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 39.4 91.48 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 118' ' ' ILE . 7.0 pttt -90.98 -158.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.225 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -62.02 -131.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.529 ' H ' HG22 ' A' ' 118' ' ' ILE . 3.6 t80 64.48 134.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -167.3 166.91 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.76 142.44 46.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.61 171.97 14.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.581 1.176 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.38 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.13 170.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.53 -145.67 12.87 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.49 -58.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 m 63.87 124.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -82.25 108.41 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -170.51 139.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' HG22 ' A' ' 12' ' ' ILE . 80.8 mt 38.17 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.23 146.93 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -124.55 99.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -54.73 149.59 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.33 171.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.381 1.051 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 55.56 98.57 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' CB ' HG13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 -19.15 18.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.98 169.87 45.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.8 13.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 165.3 31.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -49.66 74.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -156.92 163.55 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 HG22 ' A' ' 106' ' ' THR . 59.7 t -141.15 120.5 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 161.61 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 106' ' ' THR . 1.3 mp -100.46 101.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.48 -51.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.6 -177.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 3.6 p -140.21 121.26 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ASN . 26.3 p90 -141.03 146.84 37.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 107.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . 44.83 39.57 6.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.924 ' O ' HD12 ' A' ' 81' ' ' LEU . 19.3 mt-10 69.4 6.09 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 30' ' ' TRP . 9.2 m-80 -97.21 119.73 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.736 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -96.65 132.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -100.18 117.62 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 89' ' ' PHE . 24.5 mt -92.08 146.9 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.706 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.59 108.8 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.413 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.5 p90 -120.98 152.81 38.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.3 p -90.25 161.17 38.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -74.43 -8.06 55.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.95 93.17 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.44 -38.12 71.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.62 -73.26 2.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' CB ' ' HA ' ' A' ' 15' ' ' ILE . 6.6 m120 -173.29 159.48 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 94.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.92 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.7 mp -41.67 113.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.35 -178.29 45.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.546 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 38.8 m-85 -126.24 129.5 49.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 14.4 m -101.01 128.74 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -112.22 145.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -151.71 155.06 37.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.73 ' HG3' HG21 ' A' ' 67' ' ' VAL . 33.0 mtmt -111.53 158.48 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -157.77 116.19 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.6 178.31 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 17.59 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -58.34 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -152.15 24.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HE3' ' CD2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER 51.12 42.19 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -80.02 133.27 36.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 54.0 m95 -112.87 129.57 56.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 107.977 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.25 -87.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.84 145.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.73 HG21 ' HG3' ' A' ' 56' ' ' LYS . 30.8 t -128.53 -44.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 1.7 tt -154.04 148.2 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.202 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.74 138.37 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m80 70.63 50.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.665 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -89.81 -178.83 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -139.41 -55.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 16.4 p -109.56 -0.9 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.44 148.71 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.11 130.49 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.1 m -87.58 137.7 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 79' ' ' THR . 37.9 mm -100.0 165.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.486 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 p -146.05 -179.63 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.188 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 51.77 70.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 32' ' ' GLU . 46.2 mt -129.08 132.85 47.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -85.74 131.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 112' ' ' ILE . 96.6 mt -77.37 111.61 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.98 -33.78 2.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -102.67 157.22 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -103.4 167.84 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 57.4 m-85 -151.24 146.72 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 20.6 m-85 -110.91 156.25 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.736 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 31.6 m-85 -137.62 156.67 47.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 40.0 ptt180 -152.46 133.28 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 38' ' ' TRP . 81.3 t -107.6 154.14 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 1.129 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 69.5 m-85 -130.99 -171.92 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -138.99 92.79 2.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.472 1.107 . . . . 0.0 110.063 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 94' ' ' GLU . 5.0 mm-40 -64.74 162.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 97' ' ' CYS . 5.3 p30 -177.64 -157.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.2 ptp -89.68 31.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.8 t -136.46 -58.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 138.44 97.64 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.538 HD23 ' CB ' ' A' ' 92' ' ' PHE . 2.6 mp 30.25 -140.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.96 142.41 44.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.405 1.066 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -30.36 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.91 154.65 50.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 1.129 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -126.38 153.7 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.2 m -85.51 99.04 10.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.445 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ttp -76.74 162.34 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 24' ' ' VAL . 35.1 p -74.78 124.06 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -32.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 106' ' ' THR . 68.6 mt-10 -145.11 166.91 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 p -88.44 172.66 9.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.84 29.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.34 109.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 83' ' ' ILE . 26.8 mm -58.64 139.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.84 153.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' A' ' 83' ' ' ILE . 17.6 mtp180 -94.33 60.13 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.91 106.54 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.0 120.82 5.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -165.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -148.46 104.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -103.42 114.08 28.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t 178.49 135.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -175.9 168.03 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.7 170.7 33.04 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -142.53 165.34 27.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 110.057 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -146.19 136.5 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.68 -84.26 0.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.83 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.57 -46.54 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -132.9 137.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER 176.56 149.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.764 ' CG2' HD11 ' A' ' 15' ' ' ILE . 76.9 mt 38.1 85.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' ILE . 4.8 mt-30 -125.37 153.36 43.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLN . 58.4 mt 37.22 88.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.764 HD11 ' CG2' ' A' ' 12' ' ' ILE . 29.3 mt -100.81 91.64 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -85.7 130.43 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 57.55 108.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -16.16 20.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.92 -173.07 44.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.81 13.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.06 42.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.9 -54.6 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.67 163.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 HG22 ' A' ' 106' ' ' THR . 61.7 t -140.49 115.76 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -126.15 170.15 12.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -112.89 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.634 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.64 -43.43 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 172.09 177.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.47 122.72 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 14.5 p90 -129.71 147.67 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.46 -121.56 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -107.13 40.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 0.764 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -140.09 131.56 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -115.17 146.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.42 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD21 ' CD2' ' A' ' 89' ' ' PHE . 23.3 mt -104.79 151.23 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.634 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.5 108.13 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 91' ' ' VAL . 46.6 p90 -118.93 154.07 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 p -95.8 161.05 28.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.23 23.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.531 1.806 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.679 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -74.96 137.65 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -9.88 52.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.87 149.77 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -177.72 108.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.08 -50.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.664 ' H ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -99.11 104.13 16.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' ' HG3' ' A' ' 96' ' ' MET . . . 66.14 69.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.34 135.57 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.9 mp -55.09 113.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -69.1 -58.54 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.91 18.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -131.77 137.26 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -87.95 141.63 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.77 141.55 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.572 ' HA ' HG23 ' A' ' 67' ' ' VAL . 11.5 mt-30 -141.37 150.55 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.807 ' HD3' HD12 ' A' ' 78' ' ' ILE . 38.0 mtmt -121.77 158.57 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.73 157.29 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' OD1' ' CE2' ' A' ' 87' ' ' TYR . 1.7 m-20 -101.05 173.89 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 19.31 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -36.55 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 m -116.99 -31.01 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 62.45 15.97 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.11 122.35 14.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 89.5 m95 -91.38 117.03 29.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 108.082 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -116.3 134.83 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.2 m -61.58 117.17 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 56' ' ' LYS . 87.9 t -88.5 -48.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -153.72 163.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.537 ' H ' HD13 ' A' ' 68' ' ' ILE . 2.4 mt-10 -139.39 150.59 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 44.57 66.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.23 -174.25 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.078 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.15 -73.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.646 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -61.75 -173.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 48.8 p -114.61 -4.28 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.0 143.57 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.32 128.79 10.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -76.89 137.51 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HD3' ' A' ' 56' ' ' LYS . 40.2 mm -100.27 162.0 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 78' ' ' ILE . 3.9 p -140.42 -175.65 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.08 . . . . 0.0 110.385 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 51.76 73.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -138.64 125.34 20.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.931 HG12 ' OH ' ' A' ' 87' ' ' TYR . 8.9 p -78.95 145.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.564 HD13 ' HB2' ' A' ' 114' ' ' ARG . 70.1 mt -87.38 99.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.86 -24.34 2.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.623 ' HB2' HG13 ' A' ' 82' ' ' VAL . 7.0 m120 -104.92 165.23 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HB3' HG13 ' A' ' 111' ' ' VAL . 17.2 pm0 -124.45 157.56 34.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.931 ' OH ' HG12 ' A' ' 82' ' ' VAL . 32.3 m-85 -139.15 168.28 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -119.34 158.08 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CD2' HD21 ' A' ' 36' ' ' LEU . 32.3 m-85 -136.02 144.83 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.809 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 18.7 mtp85 -143.32 118.57 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.56 HG21 ' CE3' ' A' ' 38' ' ' TRP . 91.5 t -98.97 138.38 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 7.6 m-85 -117.55 175.17 5.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.4 m -115.35 130.18 56.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.99 159.75 24.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.78 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.65 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 22.4 mtt -149.34 -53.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.47 -130.3 2.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -101.06 139.24 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p -55.37 121.17 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -48.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.2 149.9 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.185 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.809 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -123.57 140.58 52.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -82.61 102.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.15 140.35 35.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.612 HG22 HG12 ' A' ' 24' ' ' VAL . 22.6 p -45.83 124.26 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.11 -35.07 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.45 165.45 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -92.11 172.4 8.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.8 116.57 29.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -105.79 108.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.476 HD13 HG21 ' A' ' 29' ' ' VAL . 13.1 mm -58.47 120.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.41 6.4 4.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.564 ' HB2' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 60.54 18.78 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.199 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -160.85 137.59 8.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -117.06 159.67 13.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -109.99 173.11 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.9 mt -129.01 109.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -129.86 139.47 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -159.93 146.46 16.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -165.14 170.75 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.047 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.09 -145.83 9.75 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m 62.24 137.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 0.788 . . . . 0.0 110.059 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -173.97 158.65 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.95 142.68 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.96 162.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.51 90.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.18 62.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 40.35 66.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.541 ' O ' HD11 ' A' ' 15' ' ' ILE . 90.4 mt -84.09 86.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' ILE . 10.4 mt-30 -100.18 170.47 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.627 ' O ' HG22 ' A' ' 14' ' ' ILE . 70.1 mt 38.25 75.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 15' ' ' ILE . 2.0 mp -74.98 -31.16 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ARG . 0.3 OUTLIER 53.86 -170.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 1.7 mtt180 -37.37 130.58 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -14.47 21.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.75 -152.44 49.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.48 24.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -60.91 -43.35 98.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.743 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -168.24 160.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.743 ' N ' HD13 ' A' ' 23' ' ' ILE . 67.5 t -136.84 112.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -121.32 172.75 7.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.6 mt -114.97 109.15 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.571 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -47.31 -46.55 25.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 174.38 179.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 HD13 ' A' ' 112' ' ' ILE . 1.6 p -147.01 129.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.4 p90 -134.84 151.25 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.62 -118.65 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -110.41 34.24 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -131.1 150.83 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.1 t -130.04 152.41 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -119.23 118.58 31.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mt -101.96 152.23 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.571 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.55 107.81 3.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.43 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 74' ' ' THR . 45.9 p90 -114.81 161.06 18.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' HG22 ' A' ' 23' ' ' ILE . 15.6 p -103.48 159.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.23 23.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.419 1.747 . . . . 0.0 111.041 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.77 35.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -77.35 -7.72 56.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.41 164.06 21.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 175.58 108.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.368 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.11 -58.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -88.05 102.24 14.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 46' ' ' ASN . . . 72.6 97.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.221 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.29 41.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.94 97.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -44.08 -43.94 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . 179.35 -156.36 18.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 6.1 m-85 -143.15 114.11 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -81.91 134.48 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.497 HD11 ' CH2' ' A' ' 38' ' ' TRP . 3.3 mt -116.42 142.03 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -142.86 141.32 31.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -114.39 158.14 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.27 161.99 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.41 177.85 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 18.82 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -149.4 20.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.1 mmm 56.97 36.95 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.91 128.62 36.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 73.6 m95 -107.92 132.73 53.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.062 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -131.53 117.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 98.3 m -37.58 123.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 -45.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -155.1 135.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -125.79 139.26 53.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 m80 64.95 55.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.638 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.42 -165.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -140.98 -70.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.559 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 173.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 38.7 p -106.93 6.87 29.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.33 146.34 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.23 133.75 14.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.3 m -82.52 130.19 35.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 79' ' ' THR . 3.9 mm -99.28 166.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 ' N ' HG22 ' A' ' 78' ' ' ILE . 9.0 t -155.21 -152.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.5 OUTLIER 48.85 42.69 20.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.51 HD22 ' CD1' ' A' ' 87' ' ' TYR . 96.7 mt -107.11 142.82 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.93 108.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 114' ' ' ARG . 17.4 mt -42.49 148.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.06 52.78 5.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -175.04 163.84 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.68 141.02 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD1' HD22 ' A' ' 81' ' ' LEU . 40.1 m-85 -129.11 155.93 44.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 37.0 m-85 -109.99 174.88 5.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 52.2 m-85 -159.79 142.53 13.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -141.93 121.08 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.714 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 94.7 t -97.24 132.57 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.973 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 19.8 m-85 -103.92 -172.26 2.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 m -129.64 97.6 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.944 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.72 157.27 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 9.5 p-10 172.78 -174.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.6 mmt -47.79 -43.98 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -76.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.34 -124.4 1.16 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.1 mm? -97.86 129.16 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 0.757 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 9.3 p -44.62 147.77 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 100' ' ' SER . 25.1 t70 -162.82 171.82 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.973 ' HB2' ' CD1' ' A' ' 92' ' ' PHE . . . -125.42 146.79 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.545 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -74.16 104.78 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.23 138.87 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.588 HG21 HD11 ' A' ' 26' ' ' ILE . 19.6 p -50.64 121.67 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -33.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.2 -178.71 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.4 p -107.8 165.29 11.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.49 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.75 122.15 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.196 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -75.35 138.81 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' ARG . . . -132.63 8.75 4.22 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.483 ' HB3' HD13 ' A' ' 83' ' ' ILE . 22.8 ptt180 35.31 71.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -169.3 168.48 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.43 77.43 0.23 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 178.45 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.691 HG23 ' N ' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -82.55 -166.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.691 ' N ' HG23 ' A' ' 118' ' ' ILE . 10.2 m-85 -88.54 34.11 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 p -147.54 110.27 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 109.965 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.73 140.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.17 98.46 0.2 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.09 78.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.1 160.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 119.79 2.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.7 129.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.08 123.01 38.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ASP . 3.7 pt -100.86 100.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' ILE . 17.2 m-20 59.83 154.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.409 1.068 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' O ' HG22 ' A' ' 12' ' ' ILE . 90.0 mt -68.12 81.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.68 110.66 11.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.545 HG22 ' H ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -124.33 -148.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' H ' HG22 ' A' ' 14' ' ' ILE . 1.5 pt -82.93 157.18 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' ND2' ' A' ' 46' ' ' ASN . 2.7 p30 174.06 142.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 15.9 mtm-85 -39.16 138.2 0.89 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' ND2' ' A' ' 95' ' ' ASN . 18.5 Cg_endo -74.91 -16.46 20.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.566 1.824 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 -172.02 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.85 13.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.12 33.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.449 1.762 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.34 -56.88 16.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -152.18 158.51 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' HG22 ' A' ' 106' ' ' THR . 36.7 t -138.38 115.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.26 174.81 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -114.47 107.63 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.766 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.07 -48.17 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.37 177.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.062 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' A' ' 34' ' ' VAL . 1.4 p -145.48 122.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.1 p90 -127.09 131.47 50.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 45.78 -115.56 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.02 33.57 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 9.4 m120 -133.04 130.35 39.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -117.86 149.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -117.2 115.6 25.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 26' ' ' ILE . 6.5 mt -98.92 153.14 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.766 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -150.24 106.94 3.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD1' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -117.57 149.91 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.0 p -95.88 156.92 36.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.82 15.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.78 41.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -81.68 -7.7 59.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.73 -75.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 15.8 t0 45.29 78.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.26 -46.49 0.06 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' ND2' ' OD2' ' A' ' 16' ' ' ASP . 7.4 m120 -60.29 -59.22 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.5 104.02 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.14 114.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 44' ' ' ASP . 2.6 mp -68.95 93.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -55.07 -49.17 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -163.26 -148.73 5.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.08 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 3.9 m-85 -154.19 122.53 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 0.706 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.8 m -87.11 130.44 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -113.69 140.94 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.555 ' HA ' HG23 ' A' ' 67' ' ' VAL . 35.9 mt-30 -147.21 140.59 25.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' H ' HG23 ' A' ' 67' ' ' VAL . 31.3 pttt -114.33 167.86 10.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -157.58 125.46 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 165.12 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 24.59 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -100.37 -44.91 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' MET . 49.5 m -134.18 8.31 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.061 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' SER . 6.4 mtp 36.55 46.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 39.3 mt-10 -96.29 141.82 29.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.444 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 60.1 m95 -107.02 137.42 45.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -121.53 -86.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.4 112.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG23 ' HA ' ' A' ' 55' ' ' GLN . 73.6 t -88.9 -46.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.694 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -152.75 156.52 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.1 142.25 47.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 44.79 71.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.637 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.12 -155.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -142.92 -71.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.7 p -116.7 -0.3 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 143.41 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.18 144.75 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 71.8 m -95.12 135.86 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.27 142.75 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -122.82 171.87 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 59.6 66.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.1 mt -129.99 127.73 40.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.895 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.7 p -79.73 140.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.727 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.6 mt -82.28 101.43 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.92 -27.08 2.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.716 ' HB2' HG13 ' A' ' 82' ' ' VAL . 6.5 m120 -99.21 154.71 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 153.61 23.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 110.382 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.895 ' OH ' HG12 ' A' ' 82' ' ' VAL . 92.0 m-85 -139.41 154.17 47.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 22.7 m-85 -108.48 172.17 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.734 ' CD1' HD11 ' A' ' 36' ' ' LEU . 30.4 m-85 -154.06 142.24 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' ARG . 29.6 ptt180 -141.35 119.86 12.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 38' ' ' TRP . 96.5 t -97.06 141.88 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.627 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 37.4 m-85 -113.24 -171.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -128.46 97.97 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 155.75 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p-10 176.82 -176.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -25.81 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -66.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.7 -132.71 2.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.6 mm? -102.89 135.0 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 t -43.21 136.93 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.55 -40.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.0 172.79 12.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -131.54 129.52 41.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 m -66.21 100.99 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 2.9 tmm? -80.39 151.24 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' VAL . 32.6 p -81.18 101.8 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -22.5 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.52 -35.21 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t 65.08 171.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -119.64 116.05 25.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 t -94.03 102.89 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.1 mm -52.68 146.98 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.075 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.727 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . 176.37 140.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 54.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -100.15 178.95 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.77 45.49 0.1 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.921 ' O ' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -141.11 105.94 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.921 HG22 ' O ' ' A' ' 117' ' ' LYS . 4.4 tt 59.18 142.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -134.9 123.17 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -148.72 89.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.61 149.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.18 70.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -141.57 167.99 20.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 p -176.8 148.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.73 -134.22 11.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.31 160.84 37.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 108.41 14.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.76 72.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ILE . 12.0 t0 -141.3 140.56 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 12' ' ' ILE . 74.6 mt 38.75 78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -102.13 114.83 29.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mm -78.99 83.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.564 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -54.87 -37.13 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 178.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -47.54 145.68 4.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.248 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CG ' ' ND2' ' A' ' 95' ' ' ASN . 18.3 Cg_endo -74.98 173.99 13.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.547 1.814 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.75 -165.64 26.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.419 1.074 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.1 42.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -42.93 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.5 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -171.99 163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 104' ' ' THR . 78.0 t -140.14 119.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.212 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 1.7 mtmt -128.42 170.99 12.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.158 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -116.33 103.46 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.765 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.84 -46.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 171.63 178.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -148.01 122.31 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 11.0 p90 -129.61 153.91 47.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 35.76 -120.28 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 79' ' ' THR . 35.4 mt-10 -110.89 44.63 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.803 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -143.36 137.46 28.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' A' ' 81' ' ' LEU . 1.9 t -117.82 147.03 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.51 117.33 29.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.0 mt -104.49 152.15 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.765 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.82 110.64 4.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.786 ' CD1' HG11 ' A' ' 91' ' ' VAL . 33.5 p90 -118.9 150.48 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.061 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.5 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.7 p -95.8 160.37 30.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.77 30.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 138.47 23.27 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -82.92 -9.34 59.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.372 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -83.15 -85.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.1 t0 43.69 64.02 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.52 54.49 0.72 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p30 175.73 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.51 -178.19 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.569 ' C ' HD12 ' A' ' 49' ' ' ILE . . . -117.89 15.81 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD12 ' C ' ' A' ' 48' ' ' ALA . 2.8 mp 46.37 79.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -39.03 -46.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.9 -159.87 16.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -136.51 122.46 20.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -81.78 156.37 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -134.77 156.36 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -156.25 131.04 9.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.797 ' HZ1' HD11 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -117.9 156.58 28.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -154.75 144.44 21.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.23 165.14 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.38 26.32 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -40.94 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -117.55 -23.19 7.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.3 mtp 60.84 24.71 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 53.0 mt-10 -79.49 138.37 37.53 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 78.4 m95 -107.89 129.3 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 p90 -134.41 119.66 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 69' ' ' GLU . 92.4 m -38.52 118.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.411 HG21 ' HD2' ' A' ' 56' ' ' LYS . 2.4 t -94.46 -35.96 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.585 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -157.44 157.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 66' ' ' THR . 5.8 mt-10 -144.44 152.88 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 52.29 61.26 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.632 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.759 ' HE2' ' HB2' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -103.22 122.86 45.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.23 -58.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -53.58 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.493 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 46.8 p -136.36 26.45 3.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 2.0 p -151.96 155.0 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' ' HE2' ' A' ' 71' ' ' TYR . . . -154.35 157.89 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -114.46 106.47 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.797 HD11 ' HZ1' ' A' ' 56' ' ' LYS . 12.8 mm -79.3 159.51 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.8 t -143.48 -155.56 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.3 mt-10 42.96 46.95 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.589 ' CD1' HG23 ' A' ' 34' ' ' VAL . 69.7 mt -106.34 140.34 39.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 85' ' ' ASN . 8.6 p -97.67 139.77 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.59 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.0 mt -84.58 101.98 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.46 -13.44 3.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 82' ' ' VAL . 7.8 m120 -115.56 155.64 27.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 167.54 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.575 ' OH ' HG12 ' A' ' 82' ' ' VAL . 97.5 m-85 -154.23 155.4 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.4 m-85 -110.74 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.3 m-85 -158.92 149.69 19.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.8 ptt180 -157.36 132.21 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.23 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 38' ' ' TRP . 92.8 t -104.7 139.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 44.0 m-85 -103.07 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -127.34 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 142.92 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.515 ' ND2' ' CG ' ' A' ' 18' ' ' PRO . 2.6 p30 -164.82 -167.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -57.96 -45.59 86.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.7 m -61.24 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.254 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.47 -124.8 0.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.7 mm? -102.18 163.74 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -79.83 137.12 36.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -33.89 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -137.84 157.22 46.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.52 149.75 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -78.64 102.34 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.77 134.44 33.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.659 HG21 HD11 ' A' ' 26' ' ' ILE . 54.6 p -45.0 120.83 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.68 -30.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' THR . 41.0 mt-10 -133.58 175.4 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -99.44 169.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.12 115.07 28.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.02 109.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 83' ' ' ILE . 21.8 mm -63.25 142.58 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.21 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -168.17 171.93 9.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -115.22 100.47 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -153.3 138.2 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.26 160.22 39.82 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -116.35 138.63 51.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.0 mm 50.17 97.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.67 ' CD1' ' N ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -121.06 0.27 10.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.44 87.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -63.42 102.82 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.1 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.12 -97.61 0.52 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 t 54.8 83.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.18 119.72 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 138.83 -98.76 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 72.03 -80.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -57.76 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt 69.08 107.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 149.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.4 mt -79.05 84.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ILE . 49.4 mt-30 -96.9 164.4 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLN . 61.6 mt 37.43 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 45' ' ' GLY . 35.2 mt -92.91 134.3 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -47.48 173.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 156.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 18.1 Cg_endo -75.04 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.395 1.734 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.64 -170.97 13.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.65 14.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.44 24.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 17.1 mt-30 -38.08 -51.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.613 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.09 161.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' ILE . 22.2 t -137.52 118.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -126.53 170.82 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.9 mt -114.71 109.81 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -46.46 -42.74 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.23 179.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 HD13 ' A' ' 112' ' ' ILE . 2.2 p -147.41 122.66 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 38.4 p90 -133.91 157.93 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 107.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.6 -122.1 1.24 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.69 43.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 3.3 p30 -142.01 146.88 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.7 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 1.4 t -122.83 138.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -104.69 117.37 33.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.1 mt -103.42 152.57 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.8 109.71 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 74' ' ' THR . 43.9 p90 -118.07 148.08 42.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.518 ' CG2' HG22 ' A' ' 23' ' ' ILE . 48.1 p -91.36 160.84 36.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 156.88 42.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 154.16 41.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -93.57 -29.12 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.65 79.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -42.89 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.752 ' O ' HD12 ' A' ' 15' ' ' ILE . . . 104.72 -91.83 0.81 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -177.46 37.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 95' ' ' ASN . . . -138.11 12.96 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.1 19.79 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.5 mm 50.96 83.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -49.39 -61.55 2.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.47 -156.9 9.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -139.03 150.28 45.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ILE . 75.7 m -110.53 140.88 44.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.92 147.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -148.52 132.28 16.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 67' ' ' VAL . 9.6 pttt -111.03 154.55 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -149.8 168.21 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' CG ' ' CE1' ' A' ' 87' ' ' TYR . 1.9 t0 -124.77 176.36 6.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 18.86 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -80.15 -52.38 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -155.56 24.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.9 mmm 51.15 36.97 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.12 131.26 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 85.7 m95 -103.83 130.93 51.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.45 107.58 10.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -38.89 113.13 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG22 ' HD3' ' A' ' 56' ' ' LYS . 46.4 t -83.82 -42.69 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -159.45 167.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.3 mm-40 -139.71 146.66 39.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CD2' ' OE1' ' A' ' 94' ' ' GLU . 2.6 m80 47.67 67.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.92 177.9 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -67.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 171.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 23.7 p -110.6 10.57 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.26 144.33 36.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.72 135.01 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.4 m -88.62 130.1 35.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 79' ' ' THR . 6.6 mm -92.06 162.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 1.2 t -136.14 -173.74 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.581 ' N ' ' OG1' ' A' ' 79' ' ' THR . 23.9 mt-10 55.39 54.29 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 87' ' ' TYR . 70.7 mt -117.69 132.57 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.855 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.4 p -92.82 140.44 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 113' ' ' ALA . 83.1 mt -81.23 100.49 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.71 -34.0 1.72 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.644 ' HB2' HG13 ' A' ' 82' ' ' VAL . 7.3 m120 -95.4 160.56 14.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HG2' HG22 ' A' ' 111' ' ' VAL . 21.6 mt-10 -105.17 167.71 9.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.855 ' OH ' HG12 ' A' ' 82' ' ' VAL . 96.7 m-85 -152.4 151.01 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 32.2 m-85 -110.12 177.95 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.083 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.721 ' CD1' HD11 ' A' ' 36' ' ' LEU . 48.7 m-85 -160.16 155.84 25.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.593 1.183 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' NH2' ' NE1' ' A' ' 64' ' ' TRP . 52.8 mtm180 -156.96 125.46 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 38' ' ' TRP . 91.4 t -101.83 129.5 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 10.5 m-85 -116.32 128.98 56.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.4 m -68.72 149.26 49.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.437 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -130.3 165.39 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -159.73 -67.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.31 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.6 m -59.24 -54.48 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 108.278 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.47 -141.71 6.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.39 172.17 8.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.0 p -80.42 130.96 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -42.15 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.78 152.72 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -129.59 145.96 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 24' ' ' VAL . 55.2 m -95.64 106.51 18.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -88.82 146.65 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 105' ' ' MET . 40.6 p -52.49 124.31 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -29.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 12.2 mt-10 -140.99 164.06 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -85.17 173.08 10.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 86' ' ' GLU . 41.6 t -87.2 117.29 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.658 HD13 HG21 ' A' ' 29' ' ' VAL . 31.1 mm -71.19 144.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.207 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -176.1 153.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.58 95.62 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -173.12 169.19 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.69 -152.42 28.85 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.749 ' O ' HG22 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.81 151.82 50.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER 87.77 142.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.34 19.04 20.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.439 ' H ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.27 16.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 148.67 35.85 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.779 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.494 ' OE1' ' CE ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -43.55 -46.81 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.563 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -161.58 165.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' HB ' ' A' ' 104' ' ' THR . 92.5 t -140.95 119.52 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.49 175.41 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -118.33 108.26 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -45.69 -47.06 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 t0 172.83 -179.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.29 125.56 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 35.7 p90 -136.68 158.56 44.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.81 -120.85 0.89 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.16 41.87 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 6.4 p30 -142.78 145.23 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -120.58 145.81 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.19 117.13 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 89' ' ' PHE . 4.7 mt -101.93 153.89 19.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.659 HG21 ' HG2' ' A' ' 27' ' ' GLU . 1.1 p -148.02 108.32 4.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.8 p90 -116.29 151.93 34.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.057 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 23' ' ' ILE . 39.8 p -94.05 160.78 31.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.6 30.9 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.71 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' CE ' ' OE1' ' A' ' 22' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -47.74 -53.35 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -175.48 -144.99 5.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.679 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 57.3 m-85 -155.05 121.95 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' ILE . 2.0 m -81.89 131.02 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -108.53 144.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -139.51 128.82 24.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -110.9 150.48 29.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.7 154.13 33.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.99 167.19 10.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -91.24 27.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.58 -48.17 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 m -124.51 -2.2 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.0 mtp 45.7 34.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.6 mm-40 -83.93 134.88 34.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.486 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.7 m95 -102.66 123.52 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -121.99 116.31 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -39.96 114.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 78' ' ' ILE . 53.1 t -89.08 -46.57 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -156.86 143.69 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.3 mt-10 -126.79 159.15 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.463 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.2 m-70 42.02 55.6 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 76' ' ' ALA . 1.8 t80 -79.15 -171.4 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -70.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 173.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 39.9 p -104.47 3.3 31.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.36 140.4 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -144.1 139.01 28.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.6 m -92.7 116.68 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.579 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 mm -75.77 161.77 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.4 p -139.21 -173.28 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 48.4 65.62 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.4 mt -124.38 135.73 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.88 129.52 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -73.32 136.73 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.93 50.3 2.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -176.79 173.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.493 ' CG ' HG22 ' A' ' 111' ' ' VAL . 11.5 mp0 -121.17 164.41 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.19 158.26 40.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 30.5 m-85 -109.33 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 29.7 m-85 -162.13 143.8 10.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HD2' ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -139.36 138.58 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 38' ' ' TRP . 74.7 t -106.45 129.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CE2' ' HD2' ' A' ' 90' ' ' ARG . 9.9 m-85 -102.43 175.33 5.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 m -127.31 124.07 37.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.505 ' CG ' HD13 ' A' ' 99' ' ' LEU . 1.4 mt-10 -120.28 179.37 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.0 p30 168.53 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 0.0 109.21 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.68 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -61.67 2.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.03 -140.2 6.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.505 HD13 ' CG ' ' A' ' 94' ' ' GLU . 3.1 mm? -94.14 137.9 32.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 0.736 . . . . 0.0 109.227 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 t -54.65 131.44 43.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -43.39 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.11 152.08 28.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 90' ' ' ARG . . . -131.1 136.8 48.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 23' ' ' ILE . 44.6 m -77.62 99.32 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.3 137.37 36.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 26' ' ' ILE . 23.0 p -48.32 121.89 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -40.2 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' THR . 47.1 mt-10 -137.71 173.72 11.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 p -97.25 162.85 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.45 120.78 40.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.493 HG22 ' CG ' ' A' ' 86' ' ' GLU . 97.3 t -86.52 117.23 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.681 HD13 HG21 ' A' ' 29' ' ' VAL . 34.4 mm -73.76 137.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.02 13.52 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.485 1.781 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 142.12 27.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -39.85 -54.32 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.72 161.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.658 ' N ' HD13 ' A' ' 23' ' ' ILE . 45.0 t -137.21 115.5 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.42 174.3 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.7 mt -118.14 101.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.678 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.78 -43.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.94 170.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.628 HG23 ' CG2' ' A' ' 34' ' ' VAL . 5.3 p -138.72 122.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.438 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 45.9 p90 -133.26 147.81 51.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.9 -122.73 1.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -107.85 35.23 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -136.61 124.47 22.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.628 ' CG2' HG23 ' A' ' 29' ' ' VAL . 1.8 t -108.99 145.58 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.27 120.54 42.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.54 152.01 22.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.678 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.16 107.55 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.2 p90 -116.31 152.04 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 4.1 p -91.31 161.3 35.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.43 37.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.41 32.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -58.93 5.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 71' ' ' TYR . . . -158.08 -161.65 11.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.8 m-85 -138.21 132.84 32.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 0.72 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.464 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 68.5 m -100.78 135.56 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -117.86 143.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 17.0 mt-30 -143.67 144.18 31.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.687 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.21 126.44 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.15 162.0 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 26.58 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -99.14 -43.27 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 4.1 m -141.58 14.98 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 mtp 41.26 43.69 2.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.8 mt-10 -94.9 132.62 39.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.687 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 1.9 m95 -111.6 151.89 28.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 108.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -140.24 -83.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -169.0 145.47 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 78' ' ' ILE . 53.2 t -126.38 -44.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.682 ' CG2' HD12 ' A' ' 54' ' ' ILE . 1.1 tp -157.93 149.87 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.9 mt-10 -139.36 142.06 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.506 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 4.9 m-70 63.97 57.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 68' ' ' ILE . 1.7 t80 -99.95 168.8 9.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -126.45 -62.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.46 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 13.9 p -104.11 -0.12 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 144.38 44.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -147.08 135.18 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.2 m -87.11 115.15 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.1 mm -74.21 153.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -136.45 176.45 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 59.33 60.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.33 142.49 50.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.4 t -94.62 134.02 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 113' ' ' ALA . 70.2 mt -80.18 124.15 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.67 35.68 2.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -164.08 175.8 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -123.87 165.17 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.06 159.77 41.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.416 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.7 m-85 -109.36 172.85 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CG ' ' C ' ' A' ' 88' ' ' TYR . 73.2 m-85 -158.4 147.72 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -152.37 130.9 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.504 HG22 HG12 ' A' ' 54' ' ' ILE . 69.9 t -97.49 148.25 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.689 ' CZ ' ' HB2' ' A' ' 103' ' ' ALA . 38.3 m-85 -122.84 142.0 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -91.08 104.66 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 53' ' ' THR . 0.9 OUTLIER -89.75 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.532 ' N ' HD22 ' A' ' 95' ' ' ASN . 0.1 OUTLIER 177.97 -164.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -81.81 55.71 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.46 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.79 166.11 31.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.393 1.058 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.43 165.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.99 165.65 23.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -21.03 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -156.02 171.46 20.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.689 ' HB2' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.89 134.06 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.3 m -64.3 100.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -82.51 141.39 32.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 108' ' ' GLU . 31.9 p -51.69 123.66 10.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -30.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 106' ' ' THR . 15.4 pt-20 -127.54 179.35 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 p -107.56 170.57 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.49 119.35 39.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.3 t -90.54 120.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 29' ' ' VAL . 25.7 mm -72.84 151.94 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.515 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.98 13.59 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 142.42 27.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -46.1 -61.32 1.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -145.47 157.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 38' ' ' TRP . 73.5 t -136.83 113.18 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -126.92 174.0 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -113.29 111.69 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.608 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -48.54 -44.67 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.33 175.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.84 123.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 12.2 p90 -125.7 127.43 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.35 -121.45 2.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.51 40.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 24.5 m-80 -142.57 128.63 19.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.4 t -119.46 153.66 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.25 121.29 35.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD21 ' CD2' ' A' ' 89' ' ' PHE . 16.1 mt -104.39 151.5 23.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.61 111.17 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.5 ' HB2' HG22 ' A' ' 24' ' ' VAL . 48.1 p90 -122.88 151.54 41.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -96.92 159.29 31.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.53 36.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 146.44 32.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.758 HG21 ' OH ' ' A' ' 52' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -70.07 -60.32 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.9 -161.57 11.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.758 ' OH ' HG21 ' A' ' 49' ' ' ILE . 82.4 m-85 -145.4 112.72 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -80.16 136.46 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.2 mt -119.82 129.36 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -137.26 146.93 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.86 ' CE ' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -119.59 154.02 34.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -148.61 120.55 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.78 176.53 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 17.45 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -74.66 -52.32 12.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -150.87 22.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.16 35.36 5.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mt-10 -86.46 132.6 33.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 90' ' ' ARG . 15.6 m95 -107.66 153.8 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 107.958 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' THR . 22.9 m-85 -132.62 -83.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 170.78 138.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.86 HG21 ' CE ' ' A' ' 56' ' ' LYS . 2.6 t -118.95 -44.06 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -150.03 156.9 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mt-10 -142.44 150.43 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 5.0 m-70 63.61 39.88 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.558 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -89.41 137.0 32.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.159 . . . . 0.0 110.918 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -122.06 35.88 4.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.548 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 178.34 4.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.4 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 12.4 p -122.49 10.98 9.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.02 144.52 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -94.19 138.4 32.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.41 HD12 ' CE ' ' A' ' 56' ' ' LYS . 15.1 mm -103.57 154.14 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -137.02 176.75 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.427 1.079 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.56 64.08 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.3 mt -127.05 128.24 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.7 p -79.95 143.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.38 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 113' ' ' ALA . 74.1 mt -86.78 104.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.22 -21.51 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 82' ' ' VAL . 70.4 m-20 -99.8 156.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.79 153.81 28.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.637 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.5 m-85 -140.02 170.82 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 26.2 m-85 -129.06 138.09 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.847 ' CD2' HD21 ' A' ' 36' ' ' LEU . 33.5 m-85 -112.05 138.8 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -142.82 118.6 10.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.82 133.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 86.9 m-85 -111.45 -174.96 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 m -129.55 141.68 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.06 166.41 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 168.1 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -21.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 m -75.61 -77.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.27 -138.76 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.6 mm? -93.94 144.13 25.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 0.741 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.2 t -53.18 139.14 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -33.88 72.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.092 . . . . 0.0 110.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.29 152.18 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -119.29 140.28 50.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -75.25 99.55 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.445 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 1.6 ttp -81.07 146.19 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.0 p -58.31 129.23 41.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.447 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.66 -29.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -134.76 -174.84 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 90.9 p -111.52 167.6 10.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.33 118.52 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 111' ' ' VAL . 3.0 t -93.97 100.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 83' ' ' ILE . 12.1 mm -47.74 144.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.754 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 146.45 32.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -40.55 -57.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -151.85 163.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.2 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 106' ' ' THR . 38.5 t -140.92 114.5 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.4 167.52 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -110.39 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.638 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.56 -45.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.79 176.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -146.78 124.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 29.7 p90 -137.12 155.93 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.039 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.73 -120.78 2.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -114.71 24.51 11.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.586 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 12.8 p30 -126.87 133.37 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -111.17 154.2 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -117.81 119.51 35.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 89' ' ' PHE . 20.3 mt -104.31 151.66 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.638 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.56 107.57 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.554 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -119.15 153.97 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 p -96.0 159.64 31.8 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 144.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 p -50.74 -42.48 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.46 -154.73 10.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -145.33 133.96 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -84.32 149.85 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 HG22 ' A' ' 68' ' ' ILE . 3.1 mt -131.74 148.94 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.761 ' HA ' HG23 ' A' ' 67' ' ' VAL . 25.1 mt-30 -150.85 141.86 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HD3' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.59 156.7 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -157.68 148.02 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.97 172.33 7.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 22.84 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -44.69 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.08 -25.88 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.4 mmm 61.19 18.05 8.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.53 133.46 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.539 ' CH2' ' HG3' ' A' ' 90' ' ' ARG . 96.0 m95 -93.28 120.73 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -115.51 111.04 20.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -38.63 122.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.761 HG23 ' HA ' ' A' ' 55' ' ' GLN . 95.9 t -93.59 -48.66 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -158.68 157.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -129.29 140.55 51.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 53.67 48.9 20.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HG21 ' A' ' 68' ' ' ILE . 3.9 t80 -62.68 -176.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.72 -77.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.523 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.65 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 3.0 p -97.6 -7.91 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.01 136.97 54.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.38 151.45 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.3 m -106.53 125.95 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 79' ' ' THR . 5.0 mm -87.87 163.04 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.44 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.7 p -142.2 -173.23 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 44.1 74.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -131.95 165.38 24.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -110.82 137.01 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.6 mt -82.87 113.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.96 -17.98 9.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 82' ' ' VAL . 2.1 m-20 -101.21 165.98 11.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.38 167.86 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.384 1.052 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.556 ' OH ' HG12 ' A' ' 82' ' ' VAL . 45.8 m-85 -148.18 170.15 18.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' ALA . 11.2 m-85 -136.82 145.71 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 29.3 m-85 -130.1 158.73 38.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 31.6 mtm180 -157.9 119.03 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG21 ' CE3' ' A' ' 38' ' ' TRP . 93.6 t -96.51 134.49 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -116.82 137.58 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -73.09 103.07 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG2' ' CD2' ' A' ' 99' ' ' LEU . 1.9 tm-20 -84.88 151.71 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 40.7 p-10 -168.33 -175.95 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.51 28.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.34 -55.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 161.81 132.48 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 3.0 mp -43.39 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -70.84 142.2 51.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.82 62.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 165.55 23.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.591 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -131.21 150.69 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' HG21 ' A' ' 24' ' ' VAL . 21.9 m -89.85 99.93 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.01 144.91 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 24' ' ' VAL . 17.5 p -46.13 119.83 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.84 157.3 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 p -78.27 175.45 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.6 126.19 48.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.61 108.71 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.532 HD13 HG21 ' A' ' 29' ' ' VAL . 14.9 mm -57.02 145.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.62 28.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.51 -51.05 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.895 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.0 159.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 23' ' ' ILE . 74.9 t -135.55 113.68 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 172.37 7.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 106' ' ' THR . 4.4 mt -121.27 98.95 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -38.86 -47.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.08 179.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -147.43 123.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.9 p90 -130.26 148.06 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.27 -120.2 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.34 35.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 110.208 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -135.28 128.88 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.694 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -112.61 148.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -114.29 118.52 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.087 . . . . 0.0 109.41 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 89' ' ' PHE . 11.8 mt -106.74 150.31 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 27' ' ' GLU . 1.2 p -147.78 106.82 3.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.0 p90 -116.87 152.21 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 23' ' ' ILE . 4.9 p -92.71 157.75 39.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.98 36.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -75.01 150.41 38.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.769 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.637 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.7 mp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 p -117.26 -46.45 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.35 -167.13 17.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -144.98 128.53 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 68' ' ' ILE . 36.5 m -90.76 147.6 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -129.27 149.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HA ' HG23 ' A' ' 67' ' ' VAL . 24.0 mt-30 -146.78 156.28 43.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -124.66 154.59 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' C ' ' A' ' 62' ' ' MET . . . -156.28 111.77 2.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -53.94 167.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 24.48 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.14 -49.74 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -120.83 -12.12 8.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.532 ' C ' ' HB1' ' A' ' 57' ' ' ALA . 4.7 ptm 45.29 27.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -75.4 130.59 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 43.5 m95 -93.34 119.96 33.07 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.127 . . . . 0.0 107.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -113.16 -69.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 166.36 143.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 78' ' ' ILE . 30.5 t -125.22 -44.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -156.26 165.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 4.0 mt-10 -142.05 151.51 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 7.0 p80 39.71 85.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.534 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -111.63 -172.48 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.75 -72.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 176.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.553 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 62.5 p -110.31 11.22 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.42 142.52 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.14 143.67 26.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 1.189 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.5 m -93.11 124.97 37.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 67' ' ' VAL . 10.6 mm -90.53 138.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -118.54 178.14 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.45 60.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -121.79 136.08 54.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.52 132.64 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -75.89 138.68 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.51 30.35 7.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -164.63 162.43 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.602 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -115.89 164.05 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 12.0 m-85 -148.28 168.21 23.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.5 m-85 -108.63 -175.23 2.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.694 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 70.8 m-85 -161.62 150.36 15.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.906 ' CD ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -130.96 158.37 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG11 ' CG ' ' A' ' 38' ' ' TRP . 60.1 t -145.25 102.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 18.0 m-85 -80.43 -172.64 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 63.4 m -132.56 91.63 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.37 143.78 52.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.501 ' OD1' ' CB ' ' A' ' 97' ' ' CYS . 5.5 p30 -172.79 148.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.377 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.0 ptp -39.93 -36.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.501 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . 0.1 OUTLIER -65.11 -73.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 169.41 144.57 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' GLY . 2.8 mp -42.81 163.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -81.55 132.26 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -42.06 42.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.25 153.71 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.906 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . . . -131.27 145.14 51.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.604 ' O ' HG21 ' A' ' 24' ' ' VAL . 19.8 m -71.79 97.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 1.7 tmm? -82.52 140.58 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.835 HG21 HD11 ' A' ' 26' ' ' ILE . 21.0 p -39.94 119.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.59 -30.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 106' ' ' THR . 30.1 mt-10 -129.44 -174.0 3.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 12.2 t -106.13 163.67 12.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' GLU . . . -106.54 124.18 49.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 86' ' ' GLU . 55.5 t -91.22 127.56 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.626 HD13 HG21 ' A' ' 29' ' ' VAL . 25.4 mm -83.32 148.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.47 14.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -51.25 -59.75 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -145.66 161.06 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.652 ' N ' HD13 ' A' ' 23' ' ' ILE . 83.5 t -136.86 114.78 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.17 175.5 6.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.1 mt -119.04 101.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.36 -44.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER 174.72 178.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.22 122.72 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 38.1 p90 -131.33 148.83 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 107.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.13 -119.94 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -109.26 25.46 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -126.64 124.55 40.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.548 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.3 t -107.12 159.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -124.24 120.95 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 89' ' ' PHE . 13.0 mt -104.71 151.78 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.58 108.3 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.697 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -116.7 152.91 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.517 ' CG2' HG22 ' A' ' 23' ' ' ILE . 17.7 p -96.49 159.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.09 34.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.475 HG21 ' OH ' ' A' ' 52' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -84.03 -37.44 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . 175.43 -141.22 5.6 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 61.0 m-85 -161.02 164.62 30.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.2 m -121.44 150.58 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 68' ' ' ILE . 2.9 mp -129.95 137.84 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -146.65 124.78 12.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -111.16 160.9 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.87 160.76 43.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.74 162.95 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 27.18 2.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -41.93 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.5 m -143.86 19.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.5 mtp 37.23 38.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -78.63 122.27 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.542 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 90.0 m95 -93.82 125.03 38.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -125.28 115.96 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -41.05 118.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.449 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.15 -50.26 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -149.97 164.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -149.74 145.38 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.554 ' CD2' ' OE2' ' A' ' 94' ' ' GLU . 6.0 m170 58.2 57.54 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -87.88 -164.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -141.07 -67.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 171.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 23.9 p -105.78 -4.33 20.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.06 139.96 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.9 138.76 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -92.03 121.8 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.67 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -133.16 177.7 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 57.52 65.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.1 mt -129.14 132.78 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -87.49 129.4 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 95.8 mt -71.56 126.01 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.97 46.19 0.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -173.12 162.69 4.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.58 148.61 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -135.25 153.39 51.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -110.41 169.11 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 36' ' ' LEU . 68.0 m-85 -151.62 153.44 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 27.3 mtp85 -150.23 122.8 8.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.697 HG21 ' CE3' ' A' ' 38' ' ' TRP . 57.6 t -110.29 143.16 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 3.6 m-85 -116.17 -160.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 99' ' ' LEU . 15.6 m -136.7 122.12 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.554 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -98.28 152.24 19.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 35.5 p-10 -176.34 -163.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -69.83 -35.08 74.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.449 ' N ' ' SD ' ' A' ' 96' ' ' MET . 7.2 t -69.08 -74.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.221 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 170.62 -152.61 19.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -88.3 -159.91 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 p -117.24 148.32 41.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -31.01 65.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -135.82 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.61 152.37 50.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.431 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.5 m -87.56 100.88 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.158 . . . . 0.0 110.507 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -83.11 144.02 30.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.634 HG22 HG12 ' A' ' 24' ' ' VAL . 71.7 p -51.14 125.56 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -29.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 106' ' ' THR . 36.3 mt-10 -139.07 169.0 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.3 p -91.0 171.29 9.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.5 121.37 45.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -86.8 111.98 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -68.6 141.53 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.47 33.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.397 1.735 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -39.68 -56.57 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -154.07 162.74 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 23' ' ' ILE . 49.9 t -141.82 113.04 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 171.19 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.782 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.8 mt -114.97 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.809 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.95 -44.33 14.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.4 t0 173.78 178.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -147.58 123.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 16.6 p90 -128.41 141.17 51.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.87 -120.75 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.087 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.37 28.83 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 22.7 m-80 -128.55 128.94 45.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.6 t -115.88 157.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.58 119.81 30.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.1 mt -104.67 149.98 25.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.809 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.61 109.66 4.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.2 p90 -122.8 151.82 41.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 108.059 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -95.53 159.43 32.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.94 4.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -52.25 -59.9 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.22 -139.55 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -154.3 148.41 25.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -107.5 138.34 43.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 110.466 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.32 141.06 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -145.38 140.63 27.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 78' ' ' ILE . 7.9 pttt -120.48 136.53 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.825 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -122.64 161.55 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -101.58 163.42 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.33 16.44 16.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -32.48 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -41.96 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 8.1 mtp 64.0 35.38 10.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -83.93 9.64 11.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.825 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 84.9 m95 45.61 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 108.044 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 174.26 119.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -50.66 110.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -86.45 -42.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -161.54 165.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.1 mm-40 -139.03 158.6 43.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' ND1' ' OE1' ' A' ' 94' ' ' GLU . 4.7 m-70 38.81 61.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.532 ' CD1' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -80.23 -165.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -136.05 -71.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 166.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 18.2 p -98.41 2.17 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.9 151.64 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -155.44 145.61 21.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 53.9 m -96.78 123.73 40.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.41 HG21 ' HD2' ' A' ' 56' ' ' LYS . 6.0 mm -85.53 143.36 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -126.49 177.55 6.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 57.32 64.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -124.24 136.36 54.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.5 t -85.98 130.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.821 HG23 ' HA ' ' A' ' 113' ' ' ALA . 85.1 mt -75.96 129.87 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.33 43.23 1.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -171.79 163.96 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.16 158.48 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -139.93 167.76 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.472 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 20.7 m-85 -120.44 140.37 51.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 36' ' ' LEU . 54.3 m-85 -123.59 146.41 48.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.529 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 25.6 ptt180 -148.91 124.61 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 38' ' ' TRP . 98.9 t -101.05 131.33 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 30.3 m-85 -107.19 178.26 4.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 m -111.93 113.41 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.448 ' OE1' ' ND1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -83.25 158.94 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 165.97 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 24.1 ptp -42.07 -28.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -70.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.69 153.01 6.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 92' ' ' PHE . 3.6 mm? -50.99 144.19 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 p -73.18 133.17 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -41.22 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.84 140.96 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -130.39 148.62 52.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 23' ' ' ILE . 26.7 m -82.51 99.74 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.1 ttp -82.66 154.14 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.56 HG21 HD11 ' A' ' 26' ' ' ILE . 36.1 p -67.65 125.39 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.76 -30.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 106' ' ' THR . 24.6 mt-10 -130.39 -175.9 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -111.48 165.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.57 118.24 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.26 125.83 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 83' ' ' ILE . 22.9 mm -91.04 128.71 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.821 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.05 13.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -47.77 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.81 164.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' N ' HD13 ' A' ' 23' ' ' ILE . 48.8 t -139.94 117.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -127.18 171.97 10.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -116.05 105.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -41.41 -46.9 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.1 t0 177.02 178.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.1 p -147.6 122.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 19.6 p90 -123.58 130.75 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.57 -119.32 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -97.78 40.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 13.9 m-80 -140.0 133.57 30.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.0 t -123.28 147.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.99 118.43 32.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 89' ' ' PHE . 43.0 mt -99.54 149.25 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.27 108.42 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.484 ' CE2' ' O ' ' A' ' 74' ' ' THR . 49.0 p90 -119.7 151.33 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 23' ' ' ILE . 42.6 p -91.77 160.79 35.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.616 1.198 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.26 41.58 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.85 24.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -67.84 -58.14 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -144.45 3.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -154.92 120.35 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -92.29 128.57 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -107.27 153.09 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' HG23 ' A' ' 67' ' ' VAL . 66.7 mt-30 -148.41 139.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.5 pttt -117.35 148.7 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.68 138.9 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -81.74 174.59 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 20.63 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -83.35 -50.54 8.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -155.24 33.59 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . 12.7 ttm 34.45 56.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 10.7 mt-10 -93.67 125.85 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.228 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 58.4 m95 -107.95 125.51 51.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.67 21.29 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m 62.0 132.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LYS . 67.0 t -105.54 -44.53 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.456 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -162.63 153.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.87 145.74 51.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.45 58.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 3.2 t80 -73.68 -171.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -129.85 -77.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.587 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.484 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 2.5 p -109.89 -7.16 15.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.31 143.96 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -139.51 130.91 26.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.3 m -85.25 121.01 27.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 5.8 mm -94.11 149.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.9 t -141.11 -149.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 110.373 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.46 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.7 mt-10 41.97 33.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 87' ' ' TYR . 34.0 mt -93.67 153.04 18.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.2 t -112.21 124.03 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.784 HG23 ' HA ' ' A' ' 113' ' ' ALA . 37.0 mt -64.05 138.12 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.53 39.25 5.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -162.63 157.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.0 pm0 -119.49 133.27 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.5 ' CD1' HD22 ' A' ' 81' ' ' LEU . 38.6 m-85 -123.83 170.05 10.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 12.6 m-85 -120.57 -179.13 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.598 ' CD2' HD21 ' A' ' 36' ' ' LEU . 60.1 m-85 -160.53 134.5 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' NH2' ' CD1' ' A' ' 64' ' ' TRP . 40.3 ptt180 -139.44 128.41 23.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.77 126.96 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 67.4 m-85 -103.05 -176.17 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -118.8 109.33 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -93.04 151.54 19.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.421 ' ND2' ' HG3' ' A' ' 96' ' ' MET . 14.1 p-10 177.61 -166.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.421 ' HG3' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -54.49 -40.12 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' N ' ' SD ' ' A' ' 96' ' ' MET . 4.4 m -65.15 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.8 -135.02 2.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.4 mm? -99.43 154.57 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 p -84.39 129.27 34.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -37.81 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 135.2 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.37 155.88 45.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -92.63 100.26 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 88' ' ' TYR . 3.0 tmm? -93.7 149.89 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -71.66 102.67 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -57.19 -26.6 60.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 -39.63 19.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER 73.0 -162.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.26 130.14 28.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.67 113.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.392 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.0 mm -77.99 139.93 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.784 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 151.8 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -45.2 -53.24 8.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.15 159.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.754 ' N ' HD13 ' A' ' 23' ' ' ILE . 60.0 t -137.07 111.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -122.26 166.16 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 106' ' ' THR . 3.5 mt -108.92 102.78 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.611 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.6 -46.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.42 177.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.34 123.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.8 p90 -130.56 143.92 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 38.35 -119.71 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -107.39 44.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' ILE . 7.9 m-80 -143.38 127.5 17.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -113.33 143.39 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.56 119.8 38.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 89' ' ' PHE . 11.1 mt -104.26 151.39 23.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.49 109.24 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 74' ' ' THR . 47.0 p90 -119.91 153.85 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 14.3 p -97.54 161.37 26.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 163.31 35.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.88 28.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.408 1.067 . . . . 0.0 109.353 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 p -64.24 -55.05 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.58 -150.94 5.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -146.72 152.39 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -112.52 135.65 52.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.9 mt -112.78 132.8 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -134.32 118.06 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.681 ' HZ2' HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -115.07 166.97 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' GLU . . . -156.42 162.71 40.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 168.52 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 25.14 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -110.66 -50.93 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -117.66 -22.9 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 76.1 mmm 60.87 43.46 11.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 1.5 mm-40 -89.01 136.98 32.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.94 107.57 19.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.4 m-85 -118.51 114.28 22.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.44 HG21 ' HG3' ' A' ' 69' ' ' GLU . 18.4 m -37.87 124.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.681 HG21 ' HZ2' ' A' ' 56' ' ' LYS . 9.7 t -99.3 -32.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.636 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.27 151.38 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 66' ' ' THR . 5.1 mt-10 -135.58 145.86 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' CD ' ' A' ' 94' ' ' GLU . 10.4 m-70 49.52 45.67 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.38 -176.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -110.41 -78.65 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -175.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.545 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 73.3 p -108.66 5.86 25.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.07 137.13 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 140.82 39.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.6 m -95.09 114.66 26.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 56' ' ' LYS . 28.8 mm -82.44 157.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 4.0 t -139.26 -167.31 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.554 ' N ' ' OG1' ' A' ' 79' ' ' THR . 7.1 mt-10 50.28 42.25 25.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.549 HD13 HG23 ' A' ' 34' ' ' VAL . 23.3 mt -105.79 132.29 52.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.893 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.3 p -88.21 140.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.18 122.4 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.605 1.191 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.82 -0.81 27.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.893 ' HB2' HG13 ' A' ' 82' ' ' VAL . 12.7 m-20 -116.66 160.32 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -117.23 145.71 43.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.75 ' OH ' HG12 ' A' ' 82' ' ' VAL . 95.1 m-85 -137.24 158.18 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -116.58 164.08 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CD2' HD11 ' A' ' 36' ' ' LEU . 13.0 m-85 -144.37 156.16 44.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.658 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 7.7 mtp85 -154.15 121.05 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.5 t -100.85 136.58 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 4.9 m-85 -118.51 157.0 28.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m -89.23 124.86 34.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' NE2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -103.83 153.24 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 178.93 -172.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.07 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -89.88 32.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 -59.14 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.57 143.06 3.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.2 mm? -40.46 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.812 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -79.73 123.65 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.59 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -110.12 152.22 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.658 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.17 144.26 51.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.4 m -83.24 99.44 9.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.69 143.18 33.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.63 HG21 HD11 ' A' ' 26' ' ' ILE . 71.8 p -48.48 119.52 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -40.37 -31.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.6 pt-20 -132.7 168.97 17.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 97.0 p -90.29 170.21 10.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.87 115.27 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.69 114.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLY . 11.8 mm -64.09 134.19 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.53 29.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -41.4 -56.99 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -152.49 157.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 106' ' ' THR . 83.7 t -136.42 113.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.81 170.95 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -111.49 107.43 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.538 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.22 -46.54 9.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.1 t0 176.74 176.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.659 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -144.06 123.09 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.6 p90 -130.77 149.77 52.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.01 -118.56 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -111.5 27.21 9.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -127.08 136.28 51.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -116.92 153.46 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.85 119.26 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.5 mt -102.03 149.68 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.369 1.043 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.2 p -149.41 110.0 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.609 ' CB ' HG22 ' A' ' 24' ' ' VAL . 49.3 p90 -121.85 151.38 40.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 p -92.84 162.06 29.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.41 25.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.785 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 19.7 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -78.64 -37.27 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . -179.97 -145.73 6.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.785 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.2 m-85 -163.04 124.85 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.5 m -90.32 150.8 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -132.88 145.17 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -143.57 143.8 31.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -112.2 144.47 41.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -133.69 137.08 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 168.63 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -91.21 22.75 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -41.43 5.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -130.67 -41.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.601 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 6.1 mtp 65.42 27.76 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -85.57 7.84 21.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.609 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 42.1 m95 50.04 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 25.7 m-85 -168.05 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -166.86 151.04 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.95 -46.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -157.55 139.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.7 mm-40 -133.51 128.97 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 15.4 m-70 76.56 54.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.648 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 2.7 t80 -89.57 -179.97 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.8 -72.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 176.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 26.7 p -110.88 11.15 22.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.33 137.93 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -150.01 139.57 21.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -90.22 132.52 35.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 79' ' ' THR . 5.7 mm -89.82 164.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.8 p -141.5 -172.89 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 42.81 77.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -133.38 127.3 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.007 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.6 p -74.01 138.25 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.0 mt -78.81 132.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.79 21.32 40.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 1.007 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.7 m-20 -131.91 170.11 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -119.07 166.4 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.963 ' OH ' HG12 ' A' ' 82' ' ' VAL . 94.0 m-85 -150.88 171.58 17.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.4 m-85 -137.88 138.33 38.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.81 ' CD2' HD21 ' A' ' 36' ' ' LEU . 50.8 m-85 -119.02 155.19 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.668 ' HD2' ' HB3' ' A' ' 103' ' ' ALA . 11.7 mtm180 -152.37 124.55 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG21 ' CD2' ' A' ' 38' ' ' TRP . 95.7 t -97.77 134.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 38.7 m-85 -120.88 124.2 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -63.79 106.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 162.28 27.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.2 178.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.4 ptp -67.25 -25.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.96 -45.67 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -132.62 3.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 92' ' ' PHE . 3.9 mm? -106.28 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -83.84 128.16 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -44.68 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.99 152.62 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 90' ' ' ARG . . . -128.35 143.52 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -88.91 110.24 20.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.44 145.39 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 24' ' ' VAL . 12.4 p -51.78 121.48 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -30.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -132.59 159.51 39.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -89.21 174.78 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.66 120.67 35.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.6 128.65 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.501 HD13 HG21 ' A' ' 29' ' ' VAL . 24.1 mm -83.21 127.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.6 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.599 1.842 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 150.26 37.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -45.62 -46.53 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -166.26 163.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.38 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' N ' HD13 ' A' ' 23' ' ' ILE . 99.0 t -139.1 114.41 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -124.34 173.54 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -117.78 101.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.708 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -38.84 -41.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.97 179.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.28 122.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 41.4 p90 -132.16 150.2 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.08 -119.99 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -111.98 33.18 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -134.04 124.22 25.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -104.8 151.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.77 120.38 38.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.633 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.9 mt -105.7 152.04 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.708 HG21 ' HG2' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.33 106.65 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CE3' ' O ' ' A' ' 74' ' ' THR . 31.0 p90 -116.28 158.65 23.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.3 p -107.71 155.93 38.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.73 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.424 1.749 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -75.01 151.44 39.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 49' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -72.43 -24.11 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' ILE . . . -179.63 -163.81 30.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 45.8 m-85 -143.65 122.53 12.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -85.55 132.15 34.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -114.02 144.68 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -141.57 140.57 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.23 148.53 33.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -153.49 147.54 25.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.9 178.92 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 14.71 10.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -69.05 -50.98 43.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 31.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 47.27 50.94 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 14.2 mt-10 -98.57 136.13 39.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.474 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 13.6 m95 -113.44 154.64 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.49 22.64 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m 60.95 144.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.09 -43.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.43 155.67 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -137.35 141.35 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.454 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 4.9 m170 47.19 66.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -86.3 -167.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ARG . 47.3 t-80 -129.52 -75.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -51.42 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.243 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.566 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 4.7 p -116.87 -0.1 12.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.55 139.12 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.01 139.09 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 97.0 m -97.59 123.68 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.28 156.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 p -136.65 -178.32 5.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 50.93 71.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.36 137.58 47.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.3 128.23 42.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 112' ' ' ILE . 71.4 mt -68.87 130.11 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.64 45.27 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -163.53 158.24 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.9 OUTLIER -117.24 142.05 47.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 10.0 m-85 -131.84 171.82 13.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -126.7 153.75 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 53.0 m-85 -131.15 135.04 47.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.735 ' HG2' ' HB1' ' A' ' 103' ' ' ALA . 1.2 tmm_? -126.77 125.39 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.8 t -106.32 125.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 3.9 m-85 -96.18 -173.77 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 m -130.64 94.64 3.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 99' ' ' LEU . 1.1 mm-40 -69.22 163.79 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.73 -170.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.75 40.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.92 -64.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.77 -146.63 6.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 2.9 mm? -103.28 152.98 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 19.4 p -80.38 127.2 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.16 -26.1 67.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.9 133.23 44.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 90' ' ' ARG . . . -131.5 153.87 49.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 m -105.52 98.33 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.2 ttm -74.01 137.27 43.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.572 HG22 HG12 ' A' ' 24' ' ' VAL . 13.9 p -40.42 121.58 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -128.93 154.24 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 84.0 p -78.3 173.17 12.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.03 125.63 46.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 120.47 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.702 HG22 HG12 ' A' ' 83' ' ' ILE . 21.4 mm -73.48 144.96 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 173.71 14.01 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.59 29.14 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -40.71 -58.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -149.61 161.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 38' ' ' TRP . 71.9 t -137.67 116.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.07 172.81 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.5 mt -113.4 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.74 -46.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.221 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.3 OUTLIER 175.3 178.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 112' ' ' ILE . 4.3 p -147.45 122.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 40.8 p90 -127.97 148.16 50.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.07 -120.84 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -106.78 37.2 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -135.59 138.59 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 29' ' ' VAL . 2.1 t -120.3 148.1 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.96 119.74 36.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' SER . 10.0 mt -104.94 150.6 24.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.19 115.22 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.734 ' CE3' HG21 ' A' ' 91' ' ' VAL . 45.3 p90 -123.75 149.59 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 108.053 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -91.62 159.93 37.59 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.15 35.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.411 1.742 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 139.63 24.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.2 mp . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' ' CE1' ' A' ' 72' ' ' HIS . 19.4 m -92.43 -55.78 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.94 -179.96 18.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.762 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 79.9 m-85 -134.23 124.0 25.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 0.812 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -91.0 120.57 32.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -106.92 155.46 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 7.4 mt-30 -153.28 155.18 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -128.48 150.16 50.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.45 120.15 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -70.74 178.34 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.92 20.59 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -95.61 -46.08 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 36.0 m -120.49 -33.88 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.23 26.18 5.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.65 138.92 39.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.48 ' CD1' ' CZ ' ' A' ' 90' ' ' ARG . 44.8 m95 -88.49 131.68 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -120.8 26.01 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m 62.93 137.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 t -121.75 -45.21 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.37 155.92 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.8 mt-10 -140.4 152.37 45.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.7 m-70 52.39 57.22 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.533 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.651 ' CE1' ' HB2' ' A' ' 73' ' ' ARG . 1.9 t80 -123.46 129.22 50.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 50' ' ' THR . 16.6 m-70 -87.23 -104.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.651 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 36.1 -158.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -144.78 20.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.604 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 1.3 p -160.06 177.93 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.617 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -159.9 142.38 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.5 m -107.88 111.96 24.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 89' ' ' PHE . 8.5 mm -82.08 145.09 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -130.92 -178.34 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.56 65.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.51 150.88 40.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -100.62 133.13 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.65 HG23 ' HA ' ' A' ' 113' ' ' ALA . 97.7 mt -72.46 144.91 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.65 46.8 6.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -167.74 163.13 14.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.71 148.34 42.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 36.8 m-85 -133.68 157.51 45.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -109.19 159.72 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' HG13 ' A' ' 78' ' ' ILE . 42.4 m-85 -149.77 134.88 18.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' CD1' ' A' ' 64' ' ' TRP . 36.7 ptt180 -137.98 130.79 29.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.6 1.187 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.734 HG21 ' CE3' ' A' ' 38' ' ' TRP . 85.4 t -101.11 129.52 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 1.9 m-85 -105.08 174.82 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.8 m -119.84 119.34 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG2' HD13 ' A' ' 99' ' ' LEU . 1.1 mm-40 -114.0 173.34 6.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 172.42 -72.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.8 -59.63 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.488 ' C ' HD22 ' A' ' 99' ' ' LEU . . . 157.55 -128.05 2.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 99' ' ' LEU . 1.3 mm? -102.37 156.96 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.6 p -73.26 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -33.6 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.99 148.46 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -120.59 154.4 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -89.55 99.07 12.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.02 152.32 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 26' ' ' ILE . 65.8 p -59.63 123.0 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -40.53 -31.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -140.35 165.73 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 p -88.02 167.38 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 120.28 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -85.8 122.21 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 29' ' ' VAL . 31.8 mm -79.61 141.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.65 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -54.6 40.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -157.02 151.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' A' ' 104' ' ' THR . 61.7 t -131.7 111.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 173.54 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mt -112.7 107.68 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.509 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -42.41 -47.49 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.237 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.473 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.5 t0 177.78 178.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -148.14 123.33 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 21.7 p90 -130.38 145.83 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 40.34 -118.99 1.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.33 33.78 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -131.87 130.57 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.54 147.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.68 118.51 35.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.9 mt -97.04 147.19 24.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.61 115.04 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.73 ' CD2' HG21 ' A' ' 91' ' ' VAL . 46.3 p90 -131.36 152.3 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 6.9 p -97.47 157.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.747 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.94 119.81 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.747 HD13 ' HG2' ' A' ' 41' ' ' PRO . 5.3 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -87.64 -51.63 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 -153.46 6.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -152.05 119.6 6.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 0.723 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.8 m -87.74 142.29 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.72 155.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -149.07 133.75 17.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -111.39 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.37 146.39 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' OD1' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -100.28 168.95 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 28.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' CD ' ' HB2' ' A' ' 61' ' ' SER . 0.0 OUTLIER -100.48 -34.86 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -169.54 31.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 0.0 110.047 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' SER . 24.7 ttm 34.39 55.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.11 112.7 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.0 m95 -91.68 118.44 30.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.97 117.34 26.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 m -38.16 109.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 9.5 t -86.99 -48.44 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -150.82 137.72 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 mt-10 -110.29 138.0 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.5 p80 40.51 75.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.56 -165.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.86 -72.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 165.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.061 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.434 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 10.9 p -98.76 0.79 45.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.1 142.52 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.31 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.5 m -117.0 106.38 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 mm -73.8 142.01 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -131.38 177.34 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.8 59.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.51 140.18 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.7 129.25 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 112' ' ' ILE . 26.1 mt -70.83 122.3 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.89 48.73 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -170.83 160.69 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.53 163.11 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE1' ' OD1' ' A' ' 58' ' ' ASP . 92.9 m-85 -147.64 153.08 38.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 34.6 m-85 -114.51 152.4 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 4.6 m-85 -145.65 156.24 43.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 ptt180 -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.79 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 71.5 t -99.05 147.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.643 ' HB3' HD12 ' A' ' 99' ' ' LEU . 77.5 m-85 -112.17 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.2 m -126.07 91.11 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.98 148.92 48.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 2.9 p-10 -167.44 176.47 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.74 24.58 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -122.67 -50.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . 161.41 151.0 6.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -51.55 159.73 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 p -72.39 132.13 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -37.1 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.82 154.59 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 91' ' ' VAL . . . -128.35 153.98 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.42 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.3 m -77.52 99.99 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.3 ttp -78.88 144.77 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 26' ' ' ILE . 22.4 p -55.9 119.31 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -30.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.33 -178.4 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 p -112.05 166.5 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 115.69 27.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.8 t -101.1 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.7 mm -78.89 124.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 173.99 13.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.76 28.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.752 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -43.11 -60.73 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 160.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 23' ' ' ILE . 53.7 t -134.5 115.79 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' THR . 3.3 ptpt -127.63 167.79 15.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -110.37 110.21 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -45.63 -45.59 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.498 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER 176.24 178.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 HD13 ' A' ' 112' ' ' ILE . 2.7 p -147.21 122.99 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 22.9 p90 -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 37.22 -119.57 0.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -106.37 39.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -139.37 131.74 28.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.2 t -116.53 149.99 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.2 120.57 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD21 ' CD1' ' A' ' 89' ' ' PHE . 22.6 mt -103.63 146.87 27.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.3 p -149.43 113.18 5.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.387 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.508 ' CZ2' ' C ' ' A' ' 74' ' ' THR . 35.4 p90 -119.32 151.67 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.05 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.537 ' CG2' HG22 ' A' ' 23' ' ' ILE . 20.4 p -92.33 161.39 32.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 162.14 37.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.578 1.83 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.87 31.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.424 HG21 ' CE2' ' A' ' 52' ' ' TYR . 4.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -49.22 -49.6 42.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -170.39 -134.4 1.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 51' ' ' GLY . 29.9 m-85 -166.97 128.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.596 ' HB ' HD12 ' A' ' 99' ' ' LEU . 4.1 m -95.04 121.13 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -107.73 142.71 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -141.09 137.05 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -113.99 150.86 33.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.118 . . . . 0.0 109.222 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.11 122.19 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.51 168.28 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 10.17 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -76.53 -49.38 16.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -147.09 19.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HE2' ' CZ2' ' A' ' 64' ' ' TRP . 0.7 OUTLIER 37.22 48.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -90.52 130.48 36.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 11.6 m95 -105.26 130.1 53.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -137.67 44.29 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 67' ' ' VAL . 16.0 m 55.49 166.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 66' ' ' THR . 2.6 t -151.25 -44.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.641 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -146.71 148.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -144.65 135.51 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 72.05 61.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.681 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -111.32 124.18 51.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.26 -41.6 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.29 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.508 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 2.3 p -137.17 19.39 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.598 ' O ' ' CE2' ' A' ' 71' ' ' TYR . 2.1 p -138.35 154.5 48.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.48 162.37 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.5 m -132.73 102.2 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 89' ' ' PHE . 4.4 mm -73.96 158.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -139.86 -172.13 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.05 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' A' ' 87' ' ' TYR . 65.8 mt -129.9 148.59 51.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 85' ' ' ASN . 1.9 p -86.44 133.94 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.781 HG23 ' HA ' ' A' ' 113' ' ' ALA . 88.8 mt -79.77 120.07 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.63 7.33 34.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.843 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -120.96 167.49 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -110.68 168.01 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.687 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.2 m-85 -152.75 147.54 26.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -119.89 137.47 54.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 78' ' ' ILE . 15.5 m-85 -129.72 159.32 36.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -153.51 143.3 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' CD2' ' A' ' 38' ' ' TRP . 77.5 t -104.69 143.99 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -122.3 142.98 49.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.16 125.01 33.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.606 ' HG2' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -119.25 157.74 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -179.39 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -175.95 -37.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.2 p -54.15 -47.66 71.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 123.25 101.49 1.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.557 1.16 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.76 HD22 ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER 33.97 -148.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.724 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 p -138.4 151.29 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -34.37 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.22 169.13 18.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.13 123.39 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -58.17 98.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.6 ttm -71.02 149.53 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 26' ' ' ILE . 13.0 p -51.47 115.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.7 OUTLIER -39.82 -31.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.9 pt-20 -127.08 172.13 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -97.69 174.35 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.069 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -125.02 122.35 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.35 128.45 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.719 HD13 HG21 ' A' ' 29' ' ' VAL . 20.1 mm -84.37 146.5 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.781 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.8 13.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 165.3 31.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -49.66 74.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -156.92 163.55 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 HG22 ' A' ' 106' ' ' THR . 59.7 t -141.15 120.5 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 161.61 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 106' ' ' THR . 1.3 mp -100.46 101.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.48 -51.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.6 -177.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 3.6 p -140.21 121.26 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ASN . 26.3 p90 -141.03 146.84 37.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 107.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . 44.83 39.57 6.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.924 ' O ' HD12 ' A' ' 81' ' ' LEU . 19.3 mt-10 69.4 6.09 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 30' ' ' TRP . 9.2 m-80 -97.21 119.73 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.736 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -96.65 132.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -100.18 117.62 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 89' ' ' PHE . 24.5 mt -92.08 146.9 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.706 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.59 108.8 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.413 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.5 p90 -120.98 152.81 38.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.3 p -90.25 161.17 38.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.7 mp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.35 -178.29 45.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.546 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 38.8 m-85 -126.24 129.5 49.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 14.4 m -101.01 128.74 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -112.22 145.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -151.71 155.06 37.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.73 ' HG3' HG21 ' A' ' 67' ' ' VAL . 33.0 mtmt -111.53 158.48 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -157.77 116.19 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.6 178.31 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 17.59 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -58.34 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -152.15 24.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.491 ' HE3' ' CD2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER 51.12 42.19 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -80.02 133.27 36.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 54.0 m95 -112.87 129.57 56.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 107.977 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.25 -87.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.84 145.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.73 HG21 ' HG3' ' A' ' 56' ' ' LYS . 30.8 t -128.53 -44.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 1.7 tt -154.04 148.2 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.202 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.74 138.37 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.63 50.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.665 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -89.81 -178.83 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -139.41 -55.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 16.4 p -109.56 -0.9 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.44 148.71 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.11 130.49 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.1 m -87.58 137.7 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 79' ' ' THR . 37.9 mm -100.0 165.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.486 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 p -146.05 -179.63 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.188 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 51.77 70.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 32' ' ' GLU . 46.2 mt -129.08 132.85 47.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -85.74 131.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 112' ' ' ILE . 96.6 mt -77.37 111.61 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.98 -33.78 2.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -102.67 157.22 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -103.4 167.84 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 57.4 m-85 -151.24 146.72 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 20.6 m-85 -110.91 156.25 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.736 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 31.6 m-85 -137.62 156.67 47.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 40.0 ptt180 -152.46 133.28 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 38' ' ' TRP . 81.3 t -107.6 154.14 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 1.129 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 69.5 m-85 -130.99 -171.92 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -138.99 92.79 2.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.472 1.107 . . . . 0.0 110.063 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 5.0 mm-40 -64.74 162.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 97' ' ' CYS . 5.3 p30 -177.64 -157.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.2 ptp -89.68 31.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.8 t -136.46 -58.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 138.44 97.64 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.538 HD23 ' CB ' ' A' ' 92' ' ' PHE . 2.6 mp 30.25 -140.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.96 142.41 44.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.405 1.066 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -30.36 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.91 154.65 50.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 1.129 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -126.38 153.7 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.2 m -85.51 99.04 10.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.445 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ttp -76.74 162.34 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 24' ' ' VAL . 35.1 p -74.78 124.06 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -32.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 106' ' ' THR . 68.6 mt-10 -145.11 166.91 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 p -88.44 172.66 9.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.84 29.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.34 109.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 83' ' ' ILE . 26.8 mm -58.64 139.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.81 13.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.06 42.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.9 -54.6 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.67 163.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 HG22 ' A' ' 106' ' ' THR . 61.7 t -140.49 115.76 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -126.15 170.15 12.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -112.89 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.634 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.64 -43.43 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 172.09 177.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.47 122.72 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 14.5 p90 -129.71 147.67 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.46 -121.56 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -107.13 40.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 0.764 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -140.09 131.56 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -115.17 146.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.42 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD21 ' CD2' ' A' ' 89' ' ' PHE . 23.3 mt -104.79 151.23 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.634 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.5 108.13 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 91' ' ' VAL . 46.6 p90 -118.93 154.07 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 p -95.8 161.05 28.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.23 23.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.531 1.806 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.679 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -74.96 137.65 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.9 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -69.1 -58.54 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.91 18.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -131.77 137.26 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -87.95 141.63 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.77 141.55 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.572 ' HA ' HG23 ' A' ' 67' ' ' VAL . 35.5 mt-30 -141.37 150.55 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.807 ' HD3' HD12 ' A' ' 78' ' ' ILE . 38.0 mtmt -121.77 158.57 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.73 157.29 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' OD1' ' CE2' ' A' ' 87' ' ' TYR . 1.7 m-20 -101.05 173.89 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 19.31 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -36.55 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 m -116.99 -31.01 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 62.45 15.97 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.11 122.35 14.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 89.5 m95 -91.38 117.03 29.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 108.082 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -116.3 134.83 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.2 m -61.58 117.17 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 56' ' ' LYS . 87.9 t -88.5 -48.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -153.72 163.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 2.4 mt-10 -139.39 150.59 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 1.3 m-70 44.57 66.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.23 -174.25 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.078 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.15 -73.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.646 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -61.75 -173.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 48.8 p -114.61 -4.28 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.0 143.57 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.32 128.79 10.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -76.89 137.51 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HD3' ' A' ' 56' ' ' LYS . 40.2 mm -100.27 162.0 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 78' ' ' ILE . 3.9 p -140.42 -175.65 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.08 . . . . 0.0 110.385 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 51.76 73.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -138.64 125.34 20.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.931 HG12 ' OH ' ' A' ' 87' ' ' TYR . 8.9 p -78.95 145.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.441 ' HA ' ' CG2' ' A' ' 112' ' ' ILE . 70.1 mt -87.38 99.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.86 -24.34 2.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.623 ' HB2' HG13 ' A' ' 82' ' ' VAL . 85.7 m-20 -104.92 165.23 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HB3' HG13 ' A' ' 111' ' ' VAL . 17.2 pm0 -124.45 157.56 34.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.931 ' OH ' HG12 ' A' ' 82' ' ' VAL . 32.3 m-85 -139.15 168.28 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -119.34 158.08 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CD2' HD21 ' A' ' 36' ' ' LEU . 32.3 m-85 -136.02 144.83 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.809 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 18.7 mtp85 -143.32 118.57 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.56 HG21 ' CE3' ' A' ' 38' ' ' TRP . 91.5 t -98.97 138.38 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 7.6 m-85 -117.55 175.17 5.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.4 m -115.35 130.18 56.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.99 159.75 24.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.78 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 22.4 mtt -149.34 -53.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.47 -130.3 2.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -101.06 139.24 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p -55.37 121.17 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -48.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.2 149.9 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.185 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.809 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -123.57 140.58 52.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -82.61 102.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.15 140.35 35.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.612 HG22 HG12 ' A' ' 24' ' ' VAL . 22.6 p -45.83 124.26 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.11 -35.07 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.45 165.45 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -92.11 172.4 8.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.8 116.57 29.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -105.79 108.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.476 HD13 HG21 ' A' ' 29' ' ' VAL . 13.1 mm -58.47 120.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.48 24.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -60.91 -43.35 98.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.743 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -168.24 160.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.743 ' N ' HD13 ' A' ' 23' ' ' ILE . 67.5 t -136.84 112.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -121.32 172.75 7.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.6 mt -114.97 109.15 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.571 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -47.31 -46.55 25.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 174.38 179.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 HD13 ' A' ' 112' ' ' ILE . 1.6 p -147.01 129.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.4 p90 -134.84 151.25 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.62 -118.65 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -110.41 34.24 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -131.1 150.83 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.1 t -130.04 152.41 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -119.23 118.58 31.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mt -101.96 152.23 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.571 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.55 107.81 3.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.43 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 74' ' ' THR . 45.9 p90 -114.81 161.06 18.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' HG22 ' A' ' 23' ' ' ILE . 15.6 p -103.48 159.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.23 23.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.419 1.747 . . . . 0.0 111.041 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.77 35.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -44.08 -43.94 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . 179.35 -156.36 18.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 6.1 m-85 -143.15 114.11 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -81.91 134.48 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.497 HD11 ' CH2' ' A' ' 38' ' ' TRP . 3.3 mt -116.42 142.03 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -142.86 141.32 31.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -114.39 158.14 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.27 161.99 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.41 177.85 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 18.82 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -149.4 20.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.1 mmm 56.97 36.95 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.91 128.62 36.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 73.6 m95 -107.92 132.73 53.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.062 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -131.53 117.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 98.3 m -37.58 123.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 -45.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -155.1 135.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.2 mm-40 -125.79 139.26 53.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 6.3 m-70 64.95 55.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.638 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.42 -165.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -140.98 -70.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.559 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 173.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 38.7 p -106.93 6.87 29.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.33 146.34 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.23 133.75 14.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.3 m -82.52 130.19 35.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 79' ' ' THR . 3.9 mm -99.28 166.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.474 ' N ' HG22 ' A' ' 78' ' ' ILE . 9.0 t -155.21 -152.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.5 OUTLIER 48.85 42.69 20.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.51 HD22 ' CD1' ' A' ' 87' ' ' TYR . 96.7 mt -107.11 142.82 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.93 108.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.4 mt -42.49 148.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.06 52.78 5.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -175.04 163.84 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.68 141.02 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD1' HD22 ' A' ' 81' ' ' LEU . 40.1 m-85 -129.11 155.93 44.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 37.0 m-85 -109.99 174.88 5.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 52.2 m-85 -159.79 142.53 13.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -141.93 121.08 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.714 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 94.7 t -97.24 132.57 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.973 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 19.8 m-85 -103.92 -172.26 2.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 m -129.64 97.6 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.944 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.72 157.27 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 9.5 p-10 172.78 -174.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.6 mmt -47.79 -43.98 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -76.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.34 -124.4 1.16 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.1 mm? -97.86 129.16 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 0.757 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 9.3 p -44.62 147.77 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 100' ' ' SER . 25.1 t70 -162.82 171.82 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.973 ' HB2' ' CD1' ' A' ' 92' ' ' PHE . . . -125.42 146.79 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.545 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -74.16 104.78 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.23 138.87 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.588 HG21 HD11 ' A' ' 26' ' ' ILE . 19.6 p -50.64 121.67 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -33.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.2 -178.71 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.4 p -107.8 165.29 11.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.49 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.75 122.15 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.196 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -75.35 138.81 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.85 13.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.12 33.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.449 1.762 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.34 -56.88 16.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -152.18 158.51 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' HG22 ' A' ' 106' ' ' THR . 36.7 t -138.38 115.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.26 174.81 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -114.47 107.63 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.766 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.07 -48.17 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.37 177.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.062 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' A' ' 34' ' ' VAL . 1.4 p -145.48 122.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.1 p90 -127.09 131.47 50.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 45.78 -115.56 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.02 33.57 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 6.0 m-80 -133.04 130.35 39.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -117.86 149.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -117.2 115.6 25.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 26' ' ' ILE . 6.5 mt -98.92 153.14 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.766 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -150.24 106.94 3.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD1' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -117.57 149.91 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.0 p -95.88 156.92 36.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.82 15.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.78 41.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 52' ' ' TYR . 2.6 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -55.07 -49.17 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -163.26 -148.73 5.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.08 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 3.9 m-85 -154.19 122.53 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 0.706 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.8 m -87.11 130.44 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -113.69 140.94 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.555 ' HA ' HG23 ' A' ' 67' ' ' VAL . 35.9 mt-30 -147.21 140.59 25.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' H ' HG23 ' A' ' 67' ' ' VAL . 31.3 pttt -114.33 167.86 10.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -157.58 125.46 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 165.12 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 24.59 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -100.37 -44.91 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' MET . 49.5 m -134.18 8.31 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.061 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' SER . 6.4 mtp 36.55 46.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 39.3 mt-10 -96.29 141.82 29.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.444 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 60.1 m95 -107.02 137.42 45.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -121.53 -86.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.4 112.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG23 ' HA ' ' A' ' 55' ' ' GLN . 73.6 t -88.9 -46.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.694 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -152.75 156.52 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.5 mm-40 -134.1 142.25 47.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 9.5 p80 44.79 71.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.12 -155.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -142.92 -71.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.7 p -116.7 -0.3 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 143.41 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.18 144.75 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 71.8 m -95.12 135.86 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.27 142.75 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -122.82 171.87 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 59.6 66.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.1 mt -129.99 127.73 40.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.895 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.7 p -79.73 140.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.727 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.6 mt -82.28 101.43 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.92 -27.08 2.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.716 ' HB2' HG13 ' A' ' 82' ' ' VAL . 87.4 m-20 -99.21 154.71 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 153.61 23.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 110.382 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.895 ' OH ' HG12 ' A' ' 82' ' ' VAL . 92.0 m-85 -139.41 154.17 47.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 22.7 m-85 -108.48 172.17 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.734 ' CD1' HD11 ' A' ' 36' ' ' LEU . 30.4 m-85 -154.06 142.24 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 29.6 ptt180 -141.35 119.86 12.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 38' ' ' TRP . 96.5 t -97.06 141.88 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.627 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 37.4 m-85 -113.24 -171.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -128.46 97.97 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 155.75 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 176.82 -176.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -25.81 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -66.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.7 -132.71 2.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.6 mm? -102.89 135.0 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 t -43.21 136.93 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.55 -40.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.0 172.79 12.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -131.54 129.52 41.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 m -66.21 100.99 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 2.9 tmm? -80.39 151.24 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' VAL . 32.6 p -81.18 101.8 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -22.5 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.52 -35.21 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t 65.08 171.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -119.64 116.05 25.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 t -94.03 102.89 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.1 mm -52.68 146.98 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.075 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.727 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.1 42.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -42.93 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.5 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -171.99 163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 104' ' ' THR . 78.0 t -140.14 119.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.212 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 1.7 mtmt -128.42 170.99 12.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.158 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -116.33 103.46 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.765 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.84 -46.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 171.63 178.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -148.01 122.31 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 11.0 p90 -129.61 153.91 47.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 35.76 -120.28 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 79' ' ' THR . 35.4 mt-10 -110.89 44.63 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.803 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -143.36 137.46 28.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' A' ' 81' ' ' LEU . 1.9 t -117.82 147.03 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.51 117.33 29.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.0 mt -104.49 152.15 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.765 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.82 110.64 4.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.786 ' CD1' HG11 ' A' ' 91' ' ' VAL . 33.5 p90 -118.9 150.48 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.061 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.5 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.7 p -95.8 160.37 30.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.77 30.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 138.47 23.27 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.372 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 49' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -39.03 -46.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.9 -159.87 16.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -136.51 122.46 20.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -81.78 156.37 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -134.77 156.36 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -156.25 131.04 9.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.797 ' HZ1' HD11 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -117.9 156.58 28.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -154.75 144.44 21.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.23 165.14 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.38 26.32 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -40.94 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -117.55 -23.19 7.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.3 mtp 60.84 24.71 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 53.0 mt-10 -79.49 138.37 37.53 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 78.4 m95 -107.89 129.3 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.0 p90 -134.41 119.66 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 69' ' ' GLU . 92.4 m -38.52 118.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.411 HG21 ' HD2' ' A' ' 56' ' ' LYS . 2.4 t -94.46 -35.96 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.585 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -157.44 157.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 66' ' ' THR . 5.8 mt-10 -144.44 152.88 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 70' ' ' HIS . 6.4 m170 52.29 61.26 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.632 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.759 ' HE2' ' HB2' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -103.22 122.86 45.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.23 -58.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -53.58 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.493 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 46.8 p -136.36 26.45 3.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 2.0 p -151.96 155.0 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' ' HE2' ' A' ' 71' ' ' TYR . . . -154.35 157.89 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -114.46 106.47 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.797 HD11 ' HZ1' ' A' ' 56' ' ' LYS . 12.8 mm -79.3 159.51 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.8 t -143.48 -155.56 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.474 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.3 mt-10 42.96 46.95 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.589 ' CD1' HG23 ' A' ' 34' ' ' VAL . 69.7 mt -106.34 140.34 39.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 85' ' ' ASN . 8.6 p -97.67 139.77 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.59 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.0 mt -84.58 101.98 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.46 -13.44 3.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 82' ' ' VAL . 95.9 m-20 -115.56 155.64 27.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 167.54 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.575 ' OH ' HG12 ' A' ' 82' ' ' VAL . 97.5 m-85 -154.23 155.4 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.4 m-85 -110.74 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.3 m-85 -158.92 149.69 19.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.8 ptt180 -157.36 132.21 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.23 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 38' ' ' TRP . 92.8 t -104.7 139.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 44.0 m-85 -103.07 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -127.34 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 142.92 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -164.82 -167.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -57.96 -45.59 86.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.7 m -61.24 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.254 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.47 -124.8 0.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.7 mm? -102.18 163.74 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -79.83 137.12 36.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -33.89 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -137.84 157.22 46.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.52 149.75 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -78.64 102.34 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.77 134.44 33.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.659 HG21 HD11 ' A' ' 26' ' ' ILE . 54.6 p -45.0 120.83 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.68 -30.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' THR . 41.0 mt-10 -133.58 175.4 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -99.44 169.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.12 115.07 28.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.02 109.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 83' ' ' ILE . 21.8 mm -63.25 142.58 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.21 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.65 14.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.44 24.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 17.1 mt-30 -38.08 -51.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.613 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.09 161.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' ILE . 22.2 t -137.52 118.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -126.53 170.82 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.9 mt -114.71 109.81 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -46.46 -42.74 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.23 179.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 HD13 ' A' ' 112' ' ' ILE . 2.2 p -147.41 122.66 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 38.4 p90 -133.91 157.93 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 107.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.6 -122.1 1.24 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.69 43.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 3.3 p30 -142.01 146.88 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.7 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 1.4 t -122.83 138.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -104.69 117.37 33.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.1 mt -103.42 152.57 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.8 109.71 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 74' ' ' THR . 43.9 p90 -118.07 148.08 42.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.518 ' CG2' HG22 ' A' ' 23' ' ' ILE . 48.1 p -91.36 160.84 36.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 156.88 42.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 154.16 41.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -49.39 -61.55 2.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.47 -156.9 9.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -139.03 150.28 45.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ILE . 75.7 m -110.53 140.88 44.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.92 147.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -148.52 132.28 16.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 67' ' ' VAL . 9.6 pttt -111.03 154.55 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -149.8 168.21 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.538 ' CG ' ' CE1' ' A' ' 87' ' ' TYR . 1.9 t0 -124.77 176.36 6.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 18.86 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -80.15 -52.38 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -155.56 24.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.9 mmm 51.15 36.97 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.12 131.26 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 85.7 m95 -103.83 130.93 51.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.45 107.58 10.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -38.89 113.13 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG22 ' HD3' ' A' ' 56' ' ' LYS . 46.4 t -83.82 -42.69 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -159.45 167.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.3 mm-40 -139.71 146.66 39.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 3.8 m-70 47.67 67.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.92 177.9 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -67.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 171.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 23.7 p -110.6 10.57 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.26 144.33 36.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.72 135.01 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.4 m -88.62 130.1 35.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 79' ' ' THR . 6.6 mm -92.06 162.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 1.2 t -136.14 -173.74 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.581 ' N ' ' OG1' ' A' ' 79' ' ' THR . 23.9 mt-10 55.39 54.29 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 87' ' ' TYR . 70.7 mt -117.69 132.57 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.855 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.4 p -92.82 140.44 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 113' ' ' ALA . 83.1 mt -81.23 100.49 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.71 -34.0 1.72 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.644 ' HB2' HG13 ' A' ' 82' ' ' VAL . 86.7 m-20 -95.4 160.56 14.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HG2' HG22 ' A' ' 111' ' ' VAL . 21.6 mt-10 -105.17 167.71 9.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.855 ' OH ' HG12 ' A' ' 82' ' ' VAL . 96.7 m-85 -152.4 151.01 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 32.2 m-85 -110.12 177.95 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.083 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.721 ' CD1' HD11 ' A' ' 36' ' ' LEU . 48.7 m-85 -160.16 155.84 25.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.593 1.183 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' NH2' ' NE1' ' A' ' 64' ' ' TRP . 52.8 mtm180 -156.96 125.46 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 38' ' ' TRP . 91.4 t -101.83 129.5 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 10.5 m-85 -116.32 128.98 56.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.4 m -68.72 149.26 49.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 165.39 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.73 -67.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.31 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.6 m -59.24 -54.48 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 108.278 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.47 -141.71 6.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.39 172.17 8.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.0 p -80.42 130.96 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -42.15 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.78 152.72 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -129.59 145.96 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 24' ' ' VAL . 55.2 m -95.64 106.51 18.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -88.82 146.65 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 105' ' ' MET . 40.6 p -52.49 124.31 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -29.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 12.2 mt-10 -140.99 164.06 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -85.17 173.08 10.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 86' ' ' GLU . 41.6 t -87.2 117.29 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.658 HD13 HG21 ' A' ' 29' ' ' VAL . 31.1 mm -71.19 144.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.207 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.48 128.69 4.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.782 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -166.43 165.49 17.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.07 -166.97 12.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -177.86 120.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.773 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.02 130.14 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.25 117.25 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.57 152.66 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -141.56 66.13 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.4 tt -162.12 146.1 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 109.225 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.61 87.4 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.082 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.85 82.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -101.69 87.17 3.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -119.73 96.45 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG22 ' OD1' ' A' ' 46' ' ' ASN . 2.4 pp -66.44 146.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 t0 175.15 159.52 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 101' ' ' GLU . 13.2 mtp180 -44.1 136.29 3.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.356 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -74.92 140.1 25.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.02 177.14 52.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.27 16.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 148.67 35.85 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.479 1.779 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' OE1' ' CE ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -43.55 -46.81 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.563 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -161.58 165.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' HB ' ' A' ' 104' ' ' THR . 92.5 t -140.95 119.52 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.49 175.41 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.0 mt -118.33 108.26 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.659 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -45.69 -47.06 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.095 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 t0 172.83 -179.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.29 125.56 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 35.7 p90 -136.68 158.56 44.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.81 -120.85 0.89 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.42 1.075 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.16 41.87 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 6.4 p30 -142.78 145.23 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -120.58 145.81 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.19 117.13 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 89' ' ' PHE . 4.7 mt -101.93 153.89 19.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.659 HG21 ' HG2' ' A' ' 27' ' ' GLU . 1.1 p -148.02 108.32 4.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CD2' ' O ' ' A' ' 74' ' ' THR . 48.8 p90 -116.29 151.93 34.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.057 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 23' ' ' ILE . 39.8 p -94.05 160.78 31.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.6 30.9 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.71 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' CE ' ' OE1' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -93.97 -8.56 39.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -87.49 -71.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' HA ' HD11 ' A' ' 49' ' ' ILE . 29.9 t0 39.66 58.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.0 74.75 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' HG22 ' A' ' 15' ' ' ILE . 5.0 t-20 178.51 -65.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 109.234 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ALA . . . -136.1 118.46 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' THR . . . -40.18 110.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mp -47.04 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' ALA . 1.3 m -47.74 -53.35 15.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.436 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -175.48 -144.99 5.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.679 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 57.3 m-85 -155.05 121.95 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' ILE . 2.0 m -81.89 131.02 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -108.53 144.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -139.51 128.82 24.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -110.9 150.48 29.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -153.7 154.13 33.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.99 167.19 10.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -91.24 27.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.58 -48.17 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 m -124.51 -2.2 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.0 mtp 45.7 34.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.6 mm-40 -83.93 134.88 34.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.486 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.7 m95 -102.66 123.52 46.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 108.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -121.99 116.31 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -39.96 114.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 78' ' ' ILE . 53.1 t -89.08 -46.57 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.489 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -156.86 143.69 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.3 mt-10 -126.79 159.15 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.463 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.2 m-70 42.02 55.6 3.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.667 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 76' ' ' ALA . 1.8 t80 -79.15 -171.4 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -70.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.537 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 173.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 39.9 p -104.47 3.3 31.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.36 140.4 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -144.1 139.01 28.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 53.6 m -92.7 116.68 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.579 HD13 HG11 ' A' ' 67' ' ' VAL . 3.2 mm -75.77 161.77 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.4 p -139.21 -173.28 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 48.4 65.62 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.4 mt -124.38 135.73 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.88 129.52 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.641 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -73.32 136.73 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.93 50.3 2.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -176.79 173.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' CG ' HG22 ' A' ' 111' ' ' VAL . 11.5 mp0 -121.17 164.41 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.19 158.26 40.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 30.5 m-85 -109.33 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 29.7 m-85 -162.13 143.8 10.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HD2' ' CE2' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -139.36 138.58 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG11 ' CG ' ' A' ' 38' ' ' TRP . 74.7 t -106.45 129.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CE2' ' HD2' ' A' ' 90' ' ' ARG . 9.9 m-85 -102.43 175.33 5.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 m -127.31 124.07 37.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.505 ' CG ' HD13 ' A' ' 99' ' ' LEU . 1.4 mt-10 -120.28 179.37 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.0 p30 168.53 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.527 1.142 . . . . 0.0 109.21 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.68 -42.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -61.67 2.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.03 -140.2 6.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.505 HD13 ' CG ' ' A' ' 94' ' ' GLU . 3.1 mm? -94.14 137.9 32.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 0.736 . . . . 0.0 109.227 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 t -54.65 131.44 43.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -52.95 -43.39 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.11 152.08 28.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 90' ' ' ARG . . . -131.1 136.8 48.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 23' ' ' ILE . 44.6 m -77.62 99.32 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.3 137.37 36.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 26' ' ' ILE . 23.0 p -48.32 121.89 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -40.2 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' THR . 47.1 mt-10 -137.71 173.72 11.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 p -97.25 162.85 13.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.45 120.78 40.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.493 HG22 ' CG ' ' A' ' 86' ' ' GLU . 97.3 t -86.52 117.23 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.681 HD13 HG21 ' A' ' 29' ' ' VAL . 34.4 mm -73.76 137.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -175.51 148.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.53 62.66 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.9 169.58 24.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -161.74 121.88 1.06 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 118' ' ' ILE . 7.3 tptt -103.45 119.46 38.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 118' ' ' ILE . 12.7 mt -78.27 81.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -87.76 18.17 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 119' ' ' TYR . 6.7 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -148.94 170.5 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.5 167.97 17.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.05 -168.03 36.09 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.21 169.01 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 0.801 . . . . 0.0 110.028 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -66.86 151.04 48.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.08 107.64 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.2 101.34 8.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 0.706 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 t -177.5 137.35 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pt -89.75 99.25 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ILE . 88.9 m-20 -143.3 166.19 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 12' ' ' ILE . 77.6 mt 38.32 84.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -96.23 131.91 42.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.628 ' N ' HD21 ' A' ' 46' ' ' ASN . 1.4 mt -108.21 92.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.542 HD13 ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -50.91 179.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 1.3 t70 81.36 174.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -51.52 153.27 3.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.16 27.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.07 -174.67 34.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.02 13.52 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.485 1.781 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 142.12 27.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -39.85 -54.32 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.72 161.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.658 ' N ' HD13 ' A' ' 23' ' ' ILE . 45.0 t -137.21 115.5 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.42 174.3 7.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.7 mt -118.14 101.3 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.678 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.78 -43.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.94 170.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.628 HG23 ' CG2' ' A' ' 34' ' ' VAL . 5.3 p -138.72 122.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.438 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 45.9 p90 -133.26 147.81 51.94 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.9 -122.73 1.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -107.85 35.23 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -136.61 124.47 22.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.628 ' CG2' HG23 ' A' ' 29' ' ' VAL . 1.8 t -108.99 145.58 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.27 120.54 42.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.54 152.01 22.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.678 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.16 107.55 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.403 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 74' ' ' THR . 46.2 p90 -116.31 152.04 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 4.1 p -91.31 161.3 35.17 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.43 37.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.41 32.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -75.47 -7.06 53.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -144.26 115.41 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -143.96 91.93 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.48 -40.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.628 HD21 ' N ' ' A' ' 14' ' ' ILE . 5.6 m120 -50.28 -51.02 48.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB1' ' OD1' ' A' ' 95' ' ' ASN . . . -131.14 109.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.43 113.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.41 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mt -71.9 93.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -58.93 5.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 71' ' ' TYR . . . -158.08 -161.65 11.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.8 m-85 -138.21 132.84 32.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 0.72 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.464 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 68.5 m -100.78 135.56 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -117.86 143.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 17.0 mt-30 -143.67 144.18 31.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.687 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.21 126.44 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.15 162.0 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 26.58 2.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -99.14 -43.27 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 4.1 m -141.58 14.98 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 mtp 41.26 43.69 2.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 5.8 mt-10 -94.9 132.62 39.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.687 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 1.9 m95 -111.6 151.89 28.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 108.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -140.24 -83.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -169.0 145.47 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 78' ' ' ILE . 53.2 t -126.38 -44.28 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.682 ' CG2' HD12 ' A' ' 54' ' ' ILE . 1.1 tp -157.93 149.87 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.9 mt-10 -139.36 142.06 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.506 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 4.9 m-70 63.97 57.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.646 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HG12 ' A' ' 68' ' ' ILE . 1.7 t80 -99.95 168.8 9.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -126.45 -62.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.46 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.524 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 13.9 p -104.11 -0.12 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 144.38 44.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -147.08 135.18 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.2 m -87.11 115.15 24.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.1 mm -74.21 153.56 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -136.45 176.45 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 59.33 60.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.33 142.49 50.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.4 t -94.62 134.02 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 113' ' ' ALA . 70.2 mt -80.18 124.15 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.26 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.67 35.68 2.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -164.08 175.8 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -123.87 165.17 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 110.254 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -154.06 159.77 41.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.416 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.7 m-85 -109.36 172.85 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' CG ' ' C ' ' A' ' 88' ' ' TYR . 73.2 m-85 -158.4 147.72 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.577 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -152.37 130.9 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.504 HG22 HG12 ' A' ' 54' ' ' ILE . 69.9 t -97.49 148.25 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.689 ' CZ ' ' HB2' ' A' ' 103' ' ' ALA . 38.3 m-85 -122.84 142.0 51.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -91.08 104.66 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.058 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 53' ' ' THR . 0.9 OUTLIER -89.75 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.532 ' N ' HD22 ' A' ' 95' ' ' ASN . 0.1 OUTLIER 177.97 -164.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -81.81 55.71 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.46 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.338 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.79 166.11 31.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.393 1.058 . . . . 0.0 111.017 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.43 165.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.99 165.65 23.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -21.03 64.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -156.02 171.46 20.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.689 ' HB2' ' CZ ' ' A' ' 92' ' ' PHE . . . -131.89 134.06 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.3 m -64.3 100.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -82.51 141.39 32.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 108' ' ' GLU . 31.9 p -51.69 123.66 10.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -30.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 106' ' ' THR . 15.4 pt-20 -127.54 179.35 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 p -107.56 170.57 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.49 119.35 39.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.3 t -90.54 120.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 29' ' ' VAL . 25.7 mm -72.84 151.94 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.515 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -175.31 151.4 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -94.11 88.06 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -170.17 126.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -130.17 87.52 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 118' ' ' ILE . 1.4 pttp -148.42 175.67 10.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER 61.96 130.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -144.27 124.33 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.94 . . . . . . . . 0 0 . 1 . 003 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 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p 48.23 92.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -65.98 149.93 49.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.12 165.54 16.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -135.15 -58.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.064 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -145.81 153.01 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.54 90.29 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.08 90.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.372 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.88 -54.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.39 68.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -114.58 102.41 10.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.35 83.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -88.51 140.45 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -124.23 99.68 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.3 pt -56.79 152.73 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 162.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.374 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -45.27 170.19 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HB2' ' CB ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -74.99 119.69 5.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.11 151.56 38.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.98 13.59 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 142.42 27.65 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -46.1 -61.32 1.81 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -145.47 157.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 38' ' ' TRP . 73.5 t -136.83 113.18 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -126.92 174.0 9.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.8 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -113.29 111.69 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -48.54 -44.67 36.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 110.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.33 175.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.84 123.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 12.2 p90 -125.7 127.43 46.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.35 -121.45 2.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.51 40.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 24.5 m-80 -142.57 128.63 19.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.72 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.4 t -119.46 153.66 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.25 121.29 35.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD21 ' CD2' ' A' ' 89' ' ' PHE . 16.1 mt -104.39 151.5 23.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.61 111.17 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.5 ' HB2' HG22 ' A' ' 24' ' ' VAL . 48.1 p90 -122.88 151.54 41.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -96.92 159.29 31.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.53 36.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 146.44 32.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.14 -3.35 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.64 139.03 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -165.96 103.17 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.09 -53.97 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.562 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 2.2 p30 -100.74 105.73 17.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 46' ' ' ASN . . . 75.34 91.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' O ' ' ND2' ' A' ' 95' ' ' ASN . . . -58.61 145.12 40.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.758 HG21 ' OH ' ' A' ' 52' ' ' TYR . 4.5 mp -64.51 109.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.7 m -70.07 -60.32 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.9 -161.57 11.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.758 ' OH ' HG21 ' A' ' 49' ' ' ILE . 82.4 m-85 -145.4 112.72 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -80.16 136.46 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.2 mt -119.82 129.36 75.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -137.26 146.93 45.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.86 ' CE ' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -119.59 154.02 34.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -148.61 120.55 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.78 176.53 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 17.45 7.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -74.66 -52.32 12.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 m -150.87 22.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.16 35.36 5.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.5 mt-10 -86.46 132.6 33.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ2' ' HD3' ' A' ' 90' ' ' ARG . 15.6 m95 -107.66 153.8 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 107.958 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 66' ' ' THR . 22.9 m-85 -132.62 -83.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 170.78 138.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.401 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.86 HG21 ' CE ' ' A' ' 56' ' ' LYS . 2.6 t -118.95 -44.06 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -150.03 156.9 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mt-10 -142.44 150.43 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 5.0 m-70 63.61 39.88 8.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.558 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -89.41 137.0 32.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.159 . . . . 0.0 110.918 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -122.06 35.88 4.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.548 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 178.34 4.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.4 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 12.4 p -122.49 10.98 9.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.02 144.52 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -94.19 138.4 32.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.41 HD12 ' CE ' ' A' ' 56' ' ' LYS . 15.1 mm -103.57 154.14 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -137.02 176.75 8.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.427 1.079 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 55.56 64.08 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.3 mt -127.05 128.24 45.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.772 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.7 p -79.95 143.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.38 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 113' ' ' ALA . 74.1 mt -86.78 104.02 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.22 -21.51 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' ' 82' ' ' VAL . 70.4 m-20 -99.8 156.28 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.79 153.81 28.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.637 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.5 m-85 -140.02 170.82 15.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CD1' ' HE2' ' A' ' 105' ' ' MET . 26.2 m-85 -129.06 138.09 51.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.847 ' CD2' HD21 ' A' ' 36' ' ' LEU . 33.5 m-85 -112.05 138.8 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -142.82 118.6 10.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -97.82 133.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 86.9 m-85 -111.45 -174.96 2.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 18' ' ' PRO . 15.8 m -129.55 141.68 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -112.06 166.41 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.489 ' ND2' ' HB1' ' A' ' 47' ' ' ALA . 0.6 OUTLIER 168.1 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -21.3 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 m -75.61 -77.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.27 -138.76 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.6 mm? -93.94 144.13 25.73 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 0.741 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.2 t -53.18 139.14 29.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -33.88 72.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.092 . . . . 0.0 110.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.29 152.18 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . . . -119.29 140.28 50.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -75.25 99.55 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.445 ' HE2' ' CD1' ' A' ' 88' ' ' TYR . 1.6 ttp -81.07 146.19 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.0 p -58.31 129.23 41.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.447 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.66 -29.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -134.76 -174.84 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 90.9 p -111.52 167.6 10.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.33 118.52 36.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 111' ' ' VAL . 3.0 t -93.97 100.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 83' ' ' ILE . 12.1 mm -47.74 144.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.754 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -177.32 150.78 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.03 62.54 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.372 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.29 115.84 2.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -143.48 53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 127.82 44.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 69.42 131.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -146.71 145.77 30.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 p 55.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.033 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -139.5 -59.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 131.93 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -168.04 147.32 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.966 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -114.69 -51.97 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.74 80.46 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.67 157.71 19.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 0.746 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.31 109.82 5.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -129.75 148.78 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER 62.49 154.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' ILE . 75.4 mt 38.39 85.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -110.85 123.06 49.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -120.67 97.96 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 pp -50.78 160.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.44 164.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.15 136.82 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.71 42.62 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.91 -156.86 30.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 146.45 32.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -40.55 -57.58 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -151.85 163.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.2 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 106' ' ' THR . 38.5 t -140.92 114.5 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.4 167.52 14.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -110.39 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.638 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.56 -45.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.79 176.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -146.78 124.33 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 29.7 p90 -137.12 155.93 49.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 108.039 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.73 -120.78 2.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -114.71 24.51 11.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.586 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 12.8 p30 -126.87 133.37 50.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.703 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -111.17 154.2 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -117.81 119.51 35.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD21 ' CD2' ' A' ' 89' ' ' PHE . 20.3 mt -104.31 151.66 23.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.638 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.56 107.57 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.554 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -119.15 153.97 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 p -96.0 159.64 31.8 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 144.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -6.03 49.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -127.88 124.51 37.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -164.18 85.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.11 -70.39 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.12 -60.88 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.81 138.66 36.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.39 15.95 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.382 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.6 mp 47.41 93.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 p -50.74 -42.48 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.46 -154.73 10.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -145.33 133.96 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -84.32 149.85 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 HG22 ' A' ' 68' ' ' ILE . 3.1 mt -131.74 148.94 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.761 ' HA ' HG23 ' A' ' 67' ' ' VAL . 25.1 mt-30 -150.85 141.86 23.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HD3' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.59 156.7 28.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -157.68 148.02 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.97 172.33 7.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 22.84 3.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 -44.69 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.08 -25.88 6.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 73.4 mmm 61.19 18.05 8.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.53 133.46 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.539 ' CH2' ' HG3' ' A' ' 90' ' ' ARG . 96.0 m95 -93.28 120.73 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -115.51 111.04 20.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -38.63 122.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.573 1.171 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.761 HG23 ' HA ' ' A' ' 55' ' ' GLN . 95.9 t -93.59 -48.66 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -158.68 157.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -129.29 140.55 51.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 53.67 48.9 20.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' CD1' HG21 ' A' ' 68' ' ' ILE . 3.9 t80 -62.68 -176.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.72 -77.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 109.523 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.65 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.543 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 3.0 p -97.6 -7.91 30.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.01 136.97 54.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.38 151.45 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 29.3 m -106.53 125.95 51.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 79' ' ' THR . 5.0 mm -87.87 163.04 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.44 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.7 p -142.2 -173.23 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 44.1 74.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -131.95 165.38 24.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -110.82 137.01 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.6 mt -82.87 113.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.96 -17.98 9.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 82' ' ' VAL . 2.1 m-20 -101.21 165.98 11.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.38 167.86 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.384 1.052 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.556 ' OH ' HG12 ' A' ' 82' ' ' VAL . 45.8 m-85 -148.18 170.15 18.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' ALA . 11.2 m-85 -136.82 145.71 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.703 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 29.3 m-85 -130.1 158.73 38.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.539 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 31.6 mtm180 -157.9 119.03 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG21 ' CE3' ' A' ' 38' ' ' TRP . 93.6 t -96.51 134.49 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -116.82 137.58 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -73.09 103.07 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG2' ' CD2' ' A' ' 99' ' ' LEU . 1.9 tm-20 -84.88 151.71 24.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 40.7 p-10 -168.33 -175.95 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.51 28.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.34 -55.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 161.81 132.48 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 3.0 mp -43.39 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 p -70.84 142.2 51.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.82 62.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 165.55 23.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.591 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -131.21 150.69 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.469 ' O ' HG21 ' A' ' 24' ' ' VAL . 21.9 m -89.85 99.93 12.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.01 144.91 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 24' ' ' VAL . 17.5 p -46.13 119.83 2.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.181 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.84 157.3 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.6 p -78.27 175.45 10.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.6 126.19 48.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.61 108.71 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.532 HD13 HG21 ' A' ' 29' ' ' VAL . 14.9 mm -57.02 145.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.68 151.09 5.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -87.85 42.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.231 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.88 118.92 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.66 166.21 23.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 156.53 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.526 HG22 ' H ' ' A' ' 119' ' ' TYR . 3.9 mt -91.71 -133.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.526 ' H ' HG22 ' A' ' 118' ' ' ILE . 4.4 m-85 -127.54 19.0 6.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -164.31 -63.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -173.43 168.28 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.44 -95.5 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m 63.08 147.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.49 165.4 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.01 -61.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.46 172.06 7.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.403 0.707 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 t -98.91 10.52 41.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.46 112.02 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.6 99.03 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.19 83.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.0 148.84 23.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -126.68 100.94 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 26.3 mt -55.29 155.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 1.2 t0 77.73 176.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.15 155.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.21 19.68 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.527 1.803 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.18 -162.65 36.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.64 14.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.62 28.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.445 1.76 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -62.51 -51.05 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.895 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.0 159.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 23' ' ' ILE . 74.9 t -135.55 113.68 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.58 172.37 7.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 106' ' ' THR . 4.4 mt -121.27 98.95 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -38.86 -47.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 t0 174.08 179.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -147.43 123.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.9 p90 -130.26 148.06 52.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.27 -120.2 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.34 35.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 110.208 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -135.28 128.88 32.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -112.61 148.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -114.29 118.52 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.087 . . . . 0.0 109.41 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 89' ' ' PHE . 11.8 mt -106.74 150.31 26.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 27' ' ' GLU . 1.2 p -147.78 106.82 3.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.0 p90 -116.87 152.21 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.542 ' OG1' HG22 ' A' ' 23' ' ' ILE . 4.9 p -92.71 157.75 39.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.98 36.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.558 1.82 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -75.01 150.41 38.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.769 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -83.67 -6.62 59.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.69 154.07 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 178.06 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.77 -83.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -42.35 -55.05 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.56 80.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.63 121.57 6.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.637 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.7 mp -59.01 151.35 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.384 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 p -117.26 -46.45 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.441 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.35 -167.13 17.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -144.98 128.53 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 68' ' ' ILE . 36.5 m -90.76 147.6 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -129.27 149.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HA ' HG23 ' A' ' 67' ' ' VAL . 24.0 mt-30 -146.78 156.28 43.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -124.66 154.59 40.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' C ' ' A' ' 62' ' ' MET . . . -156.28 111.77 2.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.599 1.187 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 0.7 OUTLIER -53.94 167.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 24.48 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.14 -49.74 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -120.83 -12.12 8.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.532 ' C ' ' HB1' ' A' ' 57' ' ' ALA . 4.7 ptm 45.29 27.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -75.4 130.59 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.599 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 43.5 m95 -93.34 119.96 33.07 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.127 . . . . 0.0 107.977 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -113.16 -69.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER 166.36 143.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.699 HG11 HD12 ' A' ' 78' ' ' ILE . 30.5 t -125.22 -44.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -156.26 165.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 4.0 mt-10 -142.05 151.51 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 7.0 p80 39.71 85.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.579 1.174 . . . . 0.0 109.534 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -111.63 -172.48 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -133.75 -72.79 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.46 176.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.553 ' HA ' ' CE2' ' A' ' 38' ' ' TRP . 62.5 p -110.31 11.22 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.42 142.52 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.14 143.67 26.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 1.189 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.5 m -93.11 124.97 37.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.699 HD12 HG11 ' A' ' 67' ' ' VAL . 10.6 mm -90.53 138.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -118.54 178.14 4.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.45 60.54 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -121.79 136.08 54.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.52 132.64 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 96.7 mt -75.89 138.68 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.51 30.35 7.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -164.63 162.43 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.602 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -115.89 164.05 14.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 12.0 m-85 -148.28 168.21 23.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.5 m-85 -108.63 -175.23 2.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.694 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 70.8 m-85 -161.62 150.36 15.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.906 ' CD ' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -130.96 158.37 40.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG11 ' CG ' ' A' ' 38' ' ' TRP . 60.1 t -145.25 102.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.78 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 18.0 m-85 -80.43 -172.64 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 63.4 m -132.56 91.63 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.37 143.78 52.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.501 ' OD1' ' CB ' ' A' ' 97' ' ' CYS . 5.5 p30 -172.79 148.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.377 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 21.0 ptp -39.93 -36.26 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.501 ' CB ' ' OD1' ' A' ' 95' ' ' ASN . 0.1 OUTLIER -65.11 -73.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . 169.41 144.57 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' GLY . 2.8 mp -42.81 163.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -81.55 132.26 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -42.06 42.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.25 153.71 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.906 ' HB3' ' CD ' ' A' ' 90' ' ' ARG . . . -131.27 145.14 51.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.604 ' O ' HG21 ' A' ' 24' ' ' VAL . 19.8 m -71.79 97.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 1.7 tmm? -82.52 140.58 33.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.835 HG21 HD11 ' A' ' 26' ' ' ILE . 21.0 p -39.94 119.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.451 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.59 -30.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.443 ' N ' ' C ' ' A' ' 106' ' ' THR . 30.1 mt-10 -129.44 -174.0 3.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 12.2 t -106.13 163.67 12.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' GLU . . . -106.54 124.18 49.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 86' ' ' GLU . 55.5 t -91.22 127.56 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.626 HD13 HG21 ' A' ' 29' ' ' VAL . 25.4 mm -83.32 148.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -177.88 153.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.13 43.41 1.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.2 147.11 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -131.46 -125.9 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.582 1.176 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.63 155.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.386 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 119' ' ' TYR . 1.5 mt -96.7 -141.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.494 ' H ' HG22 ' A' ' 118' ' ' ILE . 1.3 m-85 -132.94 18.04 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -164.91 167.92 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -172.5 161.27 5.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.062 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.09 -156.75 27.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -150.42 158.76 44.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 0.811 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -131.11 169.88 15.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.048 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.75 -72.22 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.79 83.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -43.26 139.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.09 129.96 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -154.2 158.76 40.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.4 mt -76.18 83.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -91.13 146.27 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG22 ' H ' ' A' ' 15' ' ' ILE . 1.2 mt -128.81 -150.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 ' H ' HG22 ' A' ' 14' ' ' ILE . 12.7 mm 37.07 73.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -112.66 178.07 4.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 57.88 101.32 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.62 19.98 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.22 -160.17 38.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.47 14.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 155.38 43.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -51.25 -59.75 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.652 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -145.66 161.06 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.652 ' N ' HD13 ' A' ' 23' ' ' ILE . 83.5 t -136.86 114.78 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.17 175.5 6.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.1 mt -119.04 101.53 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.36 -44.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER 174.72 178.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.22 122.72 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 38.1 p90 -131.33 148.83 52.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 107.967 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.13 -119.94 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -109.26 25.46 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -126.64 124.55 40.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.548 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.3 t -107.12 159.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.759 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -124.24 120.95 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 89' ' ' PHE . 13.0 mt -104.71 151.78 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.58 108.3 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.697 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.4 p90 -116.7 152.91 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.517 ' CG2' HG22 ' A' ' 23' ' ' ILE . 17.7 p -96.49 159.63 31.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.09 34.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -88.13 -6.42 57.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -110.62 95.23 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -142.25 86.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.38 -46.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 3.1 m120 -105.0 49.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.608 0.828 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 46' ' ' ASN . . . 178.4 171.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.48 102.94 5.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.5 mp -47.89 114.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -84.03 -37.44 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . 175.43 -141.22 5.6 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 61.0 m-85 -161.02 164.62 30.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.2 m -121.44 150.58 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 68' ' ' ILE . 2.9 mp -129.95 137.84 55.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -146.65 124.78 12.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -111.16 160.9 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.87 160.76 43.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.74 162.95 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 27.18 2.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 -41.93 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.5 m -143.86 19.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.957 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.5 mtp 37.23 38.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -78.63 122.27 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.542 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 90.0 m95 -93.82 125.03 38.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -125.28 115.96 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -41.05 118.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.449 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.15 -50.26 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.481 HG22 HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -149.97 164.59 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -149.74 145.38 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.554 ' CD2' ' OE2' ' A' ' 94' ' ' GLU . 6.0 m170 58.2 57.54 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -87.88 -164.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -141.07 -67.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.587 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 171.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 23.9 p -105.78 -4.33 20.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.06 139.96 50.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.9 138.76 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.8 m -92.03 121.8 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.67 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -133.16 177.7 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 57.52 65.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.1 mt -129.14 132.78 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -87.49 129.4 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.605 HG23 ' HA ' ' A' ' 113' ' ' ALA . 95.8 mt -71.56 126.01 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.97 46.19 0.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -173.12 162.69 4.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.58 148.61 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -135.25 153.39 51.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -110.41 169.11 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 36' ' ' LEU . 68.0 m-85 -151.62 153.44 34.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 27.3 mtp85 -150.23 122.8 8.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.697 HG21 ' CE3' ' A' ' 38' ' ' TRP . 57.6 t -110.29 143.16 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 3.6 m-85 -116.17 -160.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 99' ' ' LEU . 15.6 m -136.7 122.12 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.554 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -98.28 152.24 19.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 35.5 p-10 -176.34 -163.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -69.83 -35.08 74.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.449 ' N ' ' SD ' ' A' ' 96' ' ' MET . 7.2 t -69.08 -74.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.221 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . 170.62 -152.61 19.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -88.3 -159.91 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 0.799 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.1 p -117.24 148.32 41.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -31.01 65.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -135.82 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.61 152.37 50.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.431 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.5 m -87.56 100.88 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.158 . . . . 0.0 110.507 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ttm -83.11 144.02 30.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.634 HG22 HG12 ' A' ' 24' ' ' VAL . 71.7 p -51.14 125.56 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.81 -29.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 106' ' ' THR . 36.3 mt-10 -139.07 169.0 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.3 p -91.0 171.29 9.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.5 121.37 45.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -86.8 111.98 22.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -68.6 141.53 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.605 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -162.91 159.15 23.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 42.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.33 154.06 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -150.0 -76.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.14 -173.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.7 mt -107.3 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.95 17.73 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.11 90.56 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 0.797 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -122.41 142.83 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 69.49 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.133 . . . . 0.0 111.06 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -113.18 97.1 6.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.0 p -130.92 143.66 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.81 -166.9 18.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.1 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.91 133.23 56.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 -59.61 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -129.85 56.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 53.78 93.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -74.78 83.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.97 124.62 45.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mt -127.45 101.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -68.99 111.35 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.01 157.26 11.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.373 1.046 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -44.29 142.3 2.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 144.54 30.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.59 -167.72 42.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 173.7 14.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 147.47 33.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.397 1.735 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -39.68 -56.57 1.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' HA ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -154.07 162.74 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 23' ' ' ILE . 49.9 t -141.82 113.04 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 171.19 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.782 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.8 mt -114.97 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.809 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.95 -44.33 14.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.4 t0 173.78 178.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 112' ' ' ILE . 2.4 p -147.58 123.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 16.6 p90 -128.41 141.17 51.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.87 -120.75 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.087 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -102.37 28.83 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 0.782 . . . . 0.0 110.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 22.7 m-80 -128.55 128.94 45.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 89' ' ' PHE . 2.6 t -115.88 157.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -123.58 119.81 30.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.1 mt -104.67 149.98 25.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.809 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.61 109.66 4.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.2 p90 -122.8 151.82 41.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 108.059 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -95.53 159.43 32.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.94 4.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -7.15 59.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -94.74 -49.59 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HA ' HD11 ' A' ' 49' ' ' ILE . 30.6 t0 61.61 112.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.07 -93.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.68 44.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.364 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' A' ' 96' ' ' MET . . . -150.73 28.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 50' ' ' THR . . . 52.72 101.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 44' ' ' ASP . 2.5 mp -47.97 95.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' ALA . 18.9 m -52.25 -59.9 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.22 -139.55 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.387 1.054 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -154.3 148.41 25.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -107.5 138.34 43.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 110.466 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.32 141.06 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -145.38 140.63 27.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 78' ' ' ILE . 7.9 pttt -120.48 136.53 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.367 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.825 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -122.64 161.55 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 62' ' ' MET . 0.0 OUTLIER -101.58 163.42 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.33 16.44 16.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 -32.48 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -41.96 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.534 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 8.1 mtp 64.0 35.38 10.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -83.93 9.64 11.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.825 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 84.9 m95 45.61 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 108.044 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 174.26 119.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -50.66 110.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -86.45 -42.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -161.54 165.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.1 mm-40 -139.03 158.6 43.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' ND1' ' OE1' ' A' ' 94' ' ' GLU . 4.7 m-70 38.81 61.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.532 ' CD1' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -80.23 -165.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -136.05 -71.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 166.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 18.2 p -98.41 2.17 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.9 151.64 48.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . . . -155.44 145.61 21.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 53.9 m -96.78 123.73 40.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.41 HG21 ' HD2' ' A' ' 56' ' ' LYS . 6.0 mm -85.53 143.36 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -126.49 177.55 6.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 57.32 64.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.7 mt -124.24 136.36 54.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.5 t -85.98 130.7 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.821 HG23 ' HA ' ' A' ' 113' ' ' ALA . 85.1 mt -75.96 129.87 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.33 43.23 1.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -171.79 163.96 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.16 158.48 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -139.93 167.76 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.472 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 20.7 m-85 -120.44 140.37 51.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 36' ' ' LEU . 54.3 m-85 -123.59 146.41 48.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.529 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 25.6 ptt180 -148.91 124.61 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 38' ' ' TRP . 98.9 t -101.05 131.33 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 30.3 m-85 -107.19 178.26 4.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 m -111.93 113.41 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.448 ' OE1' ' ND1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -83.25 158.94 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 47' ' ' ALA . 2.1 m-20 165.97 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.51 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 24.1 ptp -42.07 -28.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -70.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.69 153.01 6.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 92' ' ' PHE . 3.6 mm? -50.99 144.19 9.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 p -73.18 133.17 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -41.22 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.84 140.96 32.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -130.39 148.62 52.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 23' ' ' ILE . 26.7 m -82.51 99.74 9.67 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.1 ttp -82.66 154.14 25.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.56 HG21 HD11 ' A' ' 26' ' ' ILE . 36.1 p -67.65 125.39 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.76 -30.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 106' ' ' THR . 24.6 mt-10 -130.39 -175.9 3.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.0 p -111.48 165.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.57 118.24 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.26 125.83 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 83' ' ' ILE . 22.9 mm -91.04 128.71 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.821 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -166.82 149.76 6.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.449 ' CG ' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.46 59.01 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.75 -61.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.25 130.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.63 ' HD3' HD12 ' A' ' 118' ' ' ILE . 1.2 mmtp -56.48 -165.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.63 HD12 ' HD3' ' A' ' 117' ' ' LYS . 1.9 mp -139.17 -131.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.53 ' H ' HG22 ' A' ' 118' ' ' ILE . 11.8 m-85 -147.26 -136.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 64.33 126.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.9 112.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.65 -151.55 7.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.14 150.95 30.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -147.55 144.92 28.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.4 -115.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.17 63.49 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.711 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t -95.76 121.67 37.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.072 . . . . 0.0 109.963 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.1 tt -116.99 115.68 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -146.64 104.46 3.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ASP . 74.9 mt 38.48 88.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.91 111.23 8.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 15' ' ' ILE . 1.2 mt -120.39 -149.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.216 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.569 ' H ' HG22 ' A' ' 14' ' ' ILE . 1.1 pt -68.72 135.61 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -142.87 16.44 1.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 56.66 161.73 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' ND2' ' A' ' 95' ' ' ASN . 18.2 Cg_endo -74.99 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.26 156.69 23.55 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.05 13.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -47.77 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -154.81 164.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' N ' HD13 ' A' ' 23' ' ' ILE . 48.8 t -139.94 117.96 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -127.18 171.97 10.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -116.05 105.57 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -41.41 -46.9 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.483 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.1 t0 177.02 178.26 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.1 p -147.6 122.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 19.6 p90 -123.58 130.75 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.57 -119.32 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -97.78 40.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.537 ' HB2' ' CD1' ' A' ' 30' ' ' TRP . 13.9 m-80 -140.0 133.57 30.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.0 t -123.28 147.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.99 118.43 32.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 89' ' ' PHE . 43.0 mt -99.54 149.25 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.27 108.42 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.484 ' CE2' ' O ' ' A' ' 74' ' ' THR . 49.0 p90 -119.7 151.33 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 23' ' ' ILE . 42.6 p -91.77 160.79 35.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.616 1.198 . . . . 0.0 110.432 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.26 41.58 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.85 24.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -85.86 -13.76 46.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.96 -176.3 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -155.43 -48.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.8 -74.83 2.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -170.14 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.8 109.17 7.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.383 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.09 117.97 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.6 mp -40.56 116.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -67.84 -58.14 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.37 -144.45 3.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -154.92 120.35 5.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -92.29 128.57 38.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -107.27 153.09 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HA ' HG23 ' A' ' 67' ' ' VAL . 66.7 mt-30 -148.41 139.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.5 pttt -117.35 148.7 41.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -157.68 138.9 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -81.74 174.59 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.43 20.63 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -83.35 -50.54 8.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -155.24 33.59 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . 12.7 ttm 34.45 56.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 10.7 mt-10 -93.67 125.85 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.228 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 58.4 m95 -107.95 125.51 51.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.67 21.29 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m 62.0 132.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LYS . 67.0 t -105.54 -44.53 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.456 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -162.63 153.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.87 145.74 51.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.45 58.4 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 3.2 t80 -73.68 -171.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -129.85 -77.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.587 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -171.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.484 ' O ' ' CE2' ' A' ' 38' ' ' TRP . 2.5 p -109.89 -7.16 15.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.31 143.96 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -139.51 130.91 26.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.3 m -85.25 121.01 27.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 5.8 mm -94.11 149.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.9 t -141.11 -149.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 110.373 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.7 mt-10 41.97 33.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 87' ' ' TYR . 34.0 mt -93.67 153.04 18.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.2 t -112.21 124.03 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.784 HG23 ' HA ' ' A' ' 113' ' ' ALA . 37.0 mt -64.05 138.12 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.53 39.25 5.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -162.63 157.16 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.0 pm0 -119.49 133.27 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.5 ' CD1' HD22 ' A' ' 81' ' ' LEU . 38.6 m-85 -123.83 170.05 10.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 12.6 m-85 -120.57 -179.13 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.598 ' CD2' HD21 ' A' ' 36' ' ' LEU . 60.1 m-85 -160.53 134.5 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' NH2' ' CD1' ' A' ' 64' ' ' TRP . 40.3 ptt180 -139.44 128.41 23.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.77 126.96 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.752 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 67.4 m-85 -103.05 -176.17 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -118.8 109.33 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.055 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -93.04 151.54 19.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.421 ' ND2' ' HG3' ' A' ' 96' ' ' MET . 14.1 p-10 177.61 -166.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.421 ' HG3' ' ND2' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -54.49 -40.12 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' N ' ' SD ' ' A' ' 96' ' ' MET . 4.4 m -65.15 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.294 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.8 -135.02 2.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.4 mm? -99.43 154.57 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.1 p -84.39 129.27 34.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -37.81 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 135.2 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.37 155.88 45.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -92.63 100.26 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.395 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 88' ' ' TYR . 3.0 tmm? -93.7 149.89 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -71.66 102.67 2.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -57.19 -26.6 60.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.94 -39.63 19.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER 73.0 -162.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.029 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.26 130.14 28.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.4 t -106.67 113.14 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.392 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.0 mm -77.99 139.93 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.784 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -170.93 159.02 6.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HG2' HD13 ' A' ' 83' ' ' ILE . 4.8 mtp180 -79.81 54.79 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.359 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -173.09 163.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -117.42 137.88 13.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -79.33 142.2 36.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 0.729 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 118' ' ' ILE . 2.1 mp -68.17 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.563 ' H ' HG22 ' A' ' 118' ' ' ILE . 8.2 m-85 -149.42 -137.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.35 133.96 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.91 169.63 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.85 160.97 1.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.79 -55.49 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 62.8 125.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 94.92 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.0 -59.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.72 76.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.639 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -127.07 143.36 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.79 110.66 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.5 mt -88.97 87.77 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -102.93 91.61 4.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mt -134.56 104.98 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 pp -59.16 156.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.96 150.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.37 149.8 97.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.31 2.9 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.83 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.3 -164.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 151.8 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -45.2 -53.24 8.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.15 159.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.754 ' N ' HD13 ' A' ' 23' ' ' ILE . 60.0 t -137.07 111.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -122.26 166.16 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 106' ' ' THR . 3.5 mt -108.92 102.78 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.611 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -38.6 -46.56 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.42 177.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.34 123.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.8 p90 -130.56 143.92 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 38.35 -119.71 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -107.39 44.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' ILE . 7.9 m-80 -143.38 127.5 17.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -113.33 143.39 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.56 119.8 38.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 89' ' ' PHE . 11.1 mt -104.26 151.39 23.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.611 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.49 109.24 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 74' ' ' THR . 47.0 p90 -119.91 153.85 35.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' A' ' 23' ' ' ILE . 14.3 p -97.54 161.37 26.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 163.31 35.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.88 28.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -9.33 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.408 1.067 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -130.99 170.07 14.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -140.18 -53.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.75 49.25 6.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 59.77 77.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.328 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.535 ' HB1' ' OD1' ' A' ' 95' ' ' ASN . . . -173.3 179.92 2.07 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.12 108.08 8.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.653 ' H ' HD12 ' A' ' 49' ' ' ILE . 5.0 mp -57.07 98.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 p -64.24 -55.05 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.58 -150.94 5.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -146.72 152.39 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -112.52 135.65 52.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.9 mt -112.78 132.8 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -134.32 118.06 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.681 ' HZ2' HG21 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -115.07 166.97 11.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 63' ' ' GLU . . . -156.42 162.71 40.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 168.52 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 25.14 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -110.66 -50.93 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -117.66 -22.9 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 76.1 mmm 60.87 43.46 11.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 1.5 mm-40 -89.01 136.98 32.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.94 107.57 19.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.015 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' THR . 1.4 m-85 -118.51 114.28 22.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.44 HG21 ' HG3' ' A' ' 69' ' ' GLU . 18.4 m -37.87 124.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.681 HG21 ' HZ2' ' A' ' 56' ' ' LYS . 9.7 t -99.3 -32.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.636 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.27 151.38 5.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 66' ' ' THR . 5.1 mt-10 -135.58 145.86 47.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' CD ' ' A' ' 94' ' ' GLU . 10.4 m-70 49.52 45.67 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.38 -176.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -110.41 -78.65 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -175.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.545 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 73.3 p -108.66 5.86 25.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.07 137.13 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.58 140.82 39.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.6 m -95.09 114.66 26.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.649 HD12 ' HE2' ' A' ' 56' ' ' LYS . 28.8 mm -82.44 157.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 4.0 t -139.26 -167.31 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.554 ' N ' ' OG1' ' A' ' 79' ' ' THR . 7.1 mt-10 50.28 42.25 25.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.549 HD13 HG23 ' A' ' 34' ' ' VAL . 23.3 mt -105.79 132.29 52.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.893 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.3 p -88.21 140.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.18 122.4 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.605 1.191 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.82 -0.81 27.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.893 ' HB2' HG13 ' A' ' 82' ' ' VAL . 12.7 m-20 -116.66 160.32 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -117.23 145.71 43.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.75 ' OH ' HG12 ' A' ' 82' ' ' VAL . 95.1 m-85 -137.24 158.18 45.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -116.58 164.08 15.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CD2' HD11 ' A' ' 36' ' ' LEU . 13.0 m-85 -144.37 156.16 44.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.063 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.658 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 7.7 mtp85 -154.15 121.05 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.5 t -100.85 136.58 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 4.9 m-85 -118.51 157.0 28.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m -89.23 124.86 34.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' NE2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -103.83 153.24 20.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.535 ' OD1' ' HB1' ' A' ' 47' ' ' ALA . 3.1 t-20 178.93 -172.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.07 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -89.88 32.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 -59.14 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.57 143.06 3.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 99' ' ' LEU . 1.2 mm? -40.46 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.812 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 p -79.73 123.65 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 1.068 . . . . 0.0 109.928 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.59 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -110.12 152.22 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.658 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -131.17 144.26 51.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.4 m -83.24 99.44 9.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.69 143.18 33.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.63 HG21 HD11 ' A' ' 26' ' ' ILE . 71.8 p -48.48 119.52 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -40.37 -31.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.6 pt-20 -132.7 168.97 17.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 97.0 p -90.29 170.21 10.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.87 115.27 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.69 114.34 28.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLY . 11.8 mm -64.09 134.19 29.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . -146.52 -178.45 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -126.98 105.62 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.08 163.51 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.99 171.47 27.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.46 1.1 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.21 155.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 0.1 OUTLIER 68.79 116.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -96.61 17.4 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.97 153.69 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.961 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.18 165.78 13.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.29 -127.85 2.73 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.481 1.113 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -112.32 135.34 53.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.065 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.39 145.73 25.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.12 116.62 1.34 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.32 160.59 32.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.592 0.819 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.64 125.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.947 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 pt -68.79 164.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ILE . 8.2 p30 -142.84 139.13 30.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . 35.6 mt 36.87 88.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -99.32 115.73 29.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mt -126.09 97.25 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.68 143.5 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.258 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -173.08 145.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.39 146.99 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 171.96 17.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.11 -173.16 32.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.47 14.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.53 29.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -41.4 -56.99 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -152.49 157.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 106' ' ' THR . 83.7 t -136.42 113.76 13.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.429 1.081 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -124.81 170.95 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -111.49 107.43 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.538 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.22 -46.54 9.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.1 t0 176.74 176.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.659 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -144.06 123.09 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 24.6 p90 -130.77 149.77 52.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 108.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.01 -118.56 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -111.5 27.21 9.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -127.08 136.28 51.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.0 t -116.92 153.46 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.85 119.26 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 89' ' ' PHE . 32.5 mt -102.03 149.68 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.369 1.043 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.2 p -149.41 110.0 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.609 ' CB ' HG22 ' A' ' 24' ' ' VAL . 49.3 p90 -121.85 151.38 40.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 p -92.84 162.06 29.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.84 19.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.41 25.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -9.47 48.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -158.43 95.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 45' ' ' GLY . 3.5 p30 -75.97 -45.37 35.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . . . 103.87 -89.87 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -136.05 -55.92 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB1' ' OD1' ' A' ' 95' ' ' ASN . . . -54.58 113.4 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.68 137.5 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.785 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 19.7 mm -63.22 111.05 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -78.64 -37.27 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 52' ' ' TYR . . . -179.97 -145.73 6.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.785 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 98.2 m-85 -163.04 124.85 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.5 m -90.32 150.8 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.531 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -132.88 145.17 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -143.57 143.8 31.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -112.2 144.47 41.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -133.69 137.08 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 168.63 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -91.21 22.75 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -41.43 5.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.369 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -130.67 -41.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.601 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . 6.1 mtp 65.42 27.76 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -85.57 7.84 21.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.609 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 42.1 m95 50.04 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 25.7 m-85 -168.05 -90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -166.86 151.04 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.95 -46.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -157.55 139.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.7 mm-40 -133.51 128.97 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 15.4 m-70 76.56 54.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.648 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 2.7 t80 -89.57 -179.97 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -126.8 -72.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 176.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 26.7 p -110.88 11.15 22.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.33 137.93 34.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . . . -150.01 139.57 21.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -90.22 132.52 35.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 79' ' ' THR . 5.7 mm -89.82 164.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 78' ' ' ILE . 4.8 p -141.5 -172.89 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 42.81 77.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.9 mt -133.38 127.3 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.007 HG13 ' HB2' ' A' ' 85' ' ' ASN . 7.6 p -74.01 138.25 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.0 mt -78.81 132.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.79 21.32 40.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 1.007 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.7 m-20 -131.91 170.11 15.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -119.07 166.4 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.963 ' OH ' HG12 ' A' ' 82' ' ' VAL . 94.0 m-85 -150.88 171.58 17.01 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.4 m-85 -137.88 138.33 38.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.81 ' CD2' HD21 ' A' ' 36' ' ' LEU . 50.8 m-85 -119.02 155.19 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.668 ' HD2' ' HB3' ' A' ' 103' ' ' ALA . 11.7 mtm180 -152.37 124.55 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG21 ' CD2' ' A' ' 38' ' ' TRP . 95.7 t -97.77 134.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 38.7 m-85 -120.88 124.2 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.7 m -63.79 106.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 162.28 27.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.653 ' OD1' ' HB1' ' A' ' 47' ' ' ALA . 0.7 OUTLIER 179.2 178.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.4 ptp -67.25 -25.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.8 p -73.96 -45.67 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.02 -132.62 3.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 92' ' ' PHE . 3.9 mm? -106.28 169.31 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -83.84 128.16 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.83 -44.68 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.99 152.62 26.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.668 ' HB3' ' HD2' ' A' ' 90' ' ' ARG . . . -128.35 143.52 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -88.91 110.24 20.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.434 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.44 145.39 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 24' ' ' VAL . 12.4 p -51.78 121.48 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -30.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -132.59 159.51 39.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -89.21 174.78 7.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.66 120.67 35.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.6 128.65 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.501 HD13 HG21 ' A' ' 29' ' ' VAL . 24.1 mm -83.21 127.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.54 6.98 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 67.26 19.87 10.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -166.62 158.31 13.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -83.09 145.76 23.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.29 154.33 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 64.0 139.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -157.81 158.01 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 0.817 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.3 147.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.03 -87.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 61.31 151.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 110.047 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.0 155.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.89 -145.97 11.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -139.81 66.59 1.39 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER 161.31 145.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.75 HD13 ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -151.73 127.26 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.7 t70 177.31 81.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.198 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 46' ' ' ASN . 97.0 mt -74.86 82.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 53.3 tt0 -130.14 47.08 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' CG1' ' C ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -151.17 87.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 pt -80.7 133.97 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 177.91 149.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -73.83 142.79 80.5 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 128.6 11.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.556 1.819 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -164.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.6 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.599 1.842 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 150.26 37.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -45.62 -46.53 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -166.26 163.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.38 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' N ' HD13 ' A' ' 23' ' ' ILE . 99.0 t -139.1 114.41 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -124.34 173.54 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.4 mt -117.78 101.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.708 ' HG2' HG21 ' A' ' 37' ' ' THR . 0.1 OUTLIER -38.84 -41.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 167.97 179.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -147.28 122.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 41.4 p90 -132.16 150.2 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 39.08 -119.99 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -111.98 33.18 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -134.04 124.22 25.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.2 t -104.8 151.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.77 120.38 38.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.633 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.9 mt -105.7 152.04 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.708 HG21 ' HG2' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.33 106.65 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CE3' ' O ' ' A' ' 74' ' ' THR . 31.0 p90 -116.28 158.65 23.05 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 20.3 p -107.71 155.93 38.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.73 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.424 1.749 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -75.01 151.44 39.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -78.94 -5.56 54.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.82 135.76 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -170.93 70.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.13 -47.42 0.38 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.596 1.185 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' HG23 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -121.59 126.39 48.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.41 52.22 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.79 168.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 49' ' ' ILE . 4.1 mp -80.94 114.77 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 p -72.43 -24.11 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 49' ' ' ILE . . . -179.63 -163.81 30.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 45.8 m-85 -143.65 122.53 12.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 m -85.55 132.15 34.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -114.02 144.68 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -141.57 140.57 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.23 148.53 33.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -153.49 147.54 25.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.9 178.92 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 14.71 10.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -69.05 -50.98 43.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.422 1.076 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 31.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 47.27 50.94 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 14.2 mt-10 -98.57 136.13 39.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.474 ' CD2' ' HB2' ' A' ' 57' ' ' ALA . 13.6 m95 -113.44 154.64 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.016 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.49 22.64 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m 60.95 144.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.09 -43.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.43 155.67 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -137.35 141.35 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' CE1' ' OE2' ' A' ' 94' ' ' GLU . 4.9 m170 47.19 66.62 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -86.3 -167.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ARG . 47.3 t-80 -129.52 -75.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.561 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -51.42 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.243 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.566 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 4.7 p -116.87 -0.1 12.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.55 139.12 50.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.01 139.09 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.22 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 97.0 m -97.59 123.68 41.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.28 156.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 p -136.65 -178.32 5.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 50.93 71.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.36 137.58 47.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.3 128.23 42.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 112' ' ' ILE . 71.4 mt -68.87 130.11 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.64 45.27 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -163.53 158.24 20.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 109' ' ' SER . 0.9 OUTLIER -117.24 142.05 47.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 10.0 m-85 -131.84 171.82 13.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -126.7 153.75 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 53.0 m-85 -131.15 135.04 47.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.735 ' HG2' ' HB1' ' A' ' 103' ' ' ALA . 1.2 tmm_? -126.77 125.39 41.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.8 t -106.32 125.79 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 3.9 m-85 -96.18 -173.77 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.8 m -130.64 94.64 3.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 99' ' ' LEU . 1.1 mm-40 -69.22 163.79 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.73 -170.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.75 40.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.92 -64.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.77 -146.63 6.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 2.9 mm? -103.28 152.98 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 19.4 p -80.38 127.2 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.16 -26.1 67.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.9 133.23 44.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 90' ' ' ARG . . . -131.5 153.87 49.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 m -105.52 98.33 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.2 ttm -74.01 137.27 43.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.572 HG22 HG12 ' A' ' 24' ' ' VAL . 13.9 p -40.42 121.58 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -128.93 154.24 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 86' ' ' GLU . 84.0 p -78.3 173.17 12.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.03 125.63 46.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 120.47 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.702 HG22 HG12 ' A' ' 83' ' ' ILE . 21.4 mm -73.48 144.96 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.589 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -172.17 145.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.59 ' HG3' HD13 ' A' ' 83' ' ' ILE . 1.3 mtp-105 -70.34 60.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -132.32 105.05 7.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.47 118.85 6.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -170.89 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.32 128.24 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -145.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 177.66 133.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 0.806 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -163.85 165.58 22.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.38 155.45 1.05 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.27 -45.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.75 . . . . 0.0 110.032 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m 62.33 154.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.58 147.09 12.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.82 111.01 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -108.86 89.83 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 9' ' ' SER . 4.9 mp 67.05 104.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -168.56 151.65 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 12' ' ' ILE . 79.7 mt 38.21 87.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.374 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.69 158.29 33.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.74 101.44 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 pt -66.35 -175.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 70.43 -176.07 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.2 169.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 177.17 8.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.43 159.03 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.078 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 173.71 14.01 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.59 29.14 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -40.71 -58.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -149.61 161.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 38' ' ' TRP . 71.9 t -137.67 116.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.07 172.81 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.5 mt -113.4 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.74 -46.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.221 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.3 OUTLIER 175.3 178.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 112' ' ' ILE . 4.3 p -147.45 122.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 35' ' ' ALA . 40.8 p90 -127.97 148.16 50.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.07 -120.84 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -106.78 37.2 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -135.59 138.59 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 29' ' ' VAL . 2.1 t -120.3 148.1 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.96 119.74 36.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' SER . 10.0 mt -104.94 150.6 24.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.624 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.19 115.22 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.459 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.734 ' CE3' HG21 ' A' ' 91' ' ' VAL . 45.3 p90 -123.75 149.59 45.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 108.053 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -91.62 159.93 37.59 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.15 35.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.411 1.742 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 139.63 24.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -6.67 50.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.68 159.7 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 10.1 t0 174.91 111.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.03 -72.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -47.53 -57.48 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HB1' HD22 ' A' ' 95' ' ' ASN . . . -115.78 104.22 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.92 109.07 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.762 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 3.2 mp -49.85 114.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' ' CE1' ' A' ' 72' ' ' HIS . 19.4 m -92.43 -55.78 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.94 -179.96 18.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.762 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 79.9 m-85 -134.23 124.0 25.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.58 0.812 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.3 m -91.0 120.57 32.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -106.92 155.46 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . 7.4 mt-30 -153.28 155.18 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -128.48 150.16 50.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.45 120.15 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -70.74 178.34 3.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.92 20.59 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -95.61 -46.08 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 36.0 m -120.49 -33.88 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.23 26.18 5.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.65 138.92 39.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.48 ' CD1' ' CZ ' ' A' ' 90' ' ' ARG . 44.8 m95 -88.49 131.68 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -120.8 26.01 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m 62.93 137.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.37 1.044 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 t -121.75 -45.21 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.619 HG22 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -152.37 155.92 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.8 mt-10 -140.4 152.37 45.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.7 m-70 52.39 57.22 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.533 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.651 ' CE1' ' HB2' ' A' ' 73' ' ' ARG . 1.9 t80 -123.46 129.22 50.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 50' ' ' THR . 16.6 m-70 -87.23 -104.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.651 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 36.1 -158.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.34 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -144.78 20.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.604 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 1.3 p -160.06 177.93 10.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.617 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -159.9 142.38 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.5 m -107.88 111.96 24.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 89' ' ' PHE . 8.5 mm -82.08 145.09 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -130.92 -178.34 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.56 65.71 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.232 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.51 150.88 40.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -100.62 133.13 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.65 HG23 ' HA ' ' A' ' 113' ' ' ALA . 97.7 mt -72.46 144.91 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.65 46.8 6.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -167.74 163.13 14.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.506 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.71 148.34 42.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 36.8 m-85 -133.68 157.51 45.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -109.19 159.72 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' HG13 ' A' ' 78' ' ' ILE . 42.4 m-85 -149.77 134.88 18.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' CZ ' ' CD1' ' A' ' 64' ' ' TRP . 36.7 ptt180 -137.98 130.79 29.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.6 1.187 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.734 HG21 ' CE3' ' A' ' 38' ' ' TRP . 85.4 t -101.11 129.52 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 1.9 m-85 -105.08 174.82 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.8 m -119.84 119.34 33.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG2' HD13 ' A' ' 99' ' ' LEU . 1.1 mm-40 -114.0 173.34 6.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.537 HD22 ' HB1' ' A' ' 47' ' ' ALA . 18.3 t-20 172.42 -72.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -43.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.8 -59.63 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 108.342 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.488 ' C ' HD22 ' A' ' 99' ' ' LEU . . . 157.55 -128.05 2.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.066 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 99' ' ' LEU . 1.3 mm? -102.37 156.96 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.6 p -73.26 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -33.6 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.99 148.46 41.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -120.59 154.4 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -89.55 99.07 12.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.02 152.32 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 26' ' ' ILE . 65.8 p -59.63 123.0 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -40.53 -31.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -140.35 165.73 26.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 p -88.02 167.38 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 120.28 41.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.1 t -85.8 122.21 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 29' ' ' VAL . 31.8 mm -79.61 141.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.65 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -172.84 153.06 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.362 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.05 42.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -116.42 134.1 55.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -111.13 130.04 9.55 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.5 133.75 51.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 119' ' ' TYR . 0.8 OUTLIER -80.53 -142.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.692 ' H ' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER 162.78 120.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m -143.02 -58.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.55 149.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 109.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.06 101.69 1.02 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -174.36 79.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -174.11 163.25 3.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.78 173.98 22.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.19 89.38 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.02 177.43 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tp -55.21 138.64 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.86 121.71 41.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.738 HG22 ' H ' ' A' ' 13' ' ' GLN . 1.4 mt -107.83 -164.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.738 ' H ' HG22 ' A' ' 12' ' ' ILE . 36.4 mt-30 -61.74 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -79.64 0.76 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.426 ' N ' HD22 ' A' ' 46' ' ' ASN . 11.0 mt -129.16 139.02 52.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t0 176.61 168.29 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 9.0 mtm105 -75.01 145.26 80.74 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.532 ' CD ' ' ND2' ' A' ' 95' ' ' ASN . 18.4 Cg_endo -74.96 -173.03 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . -127.69 -168.99 12.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.563 1.823 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -54.6 40.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.8 OUTLIER -157.02 151.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.42 ' HB ' HG22 ' A' ' 104' ' ' THR . 61.7 t -131.7 111.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 173.54 9.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 35' ' ' ALA . 2.9 mt -112.7 107.68 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.509 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -42.41 -47.49 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.237 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 1.5 t0 177.78 178.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 112' ' ' ILE . 2.3 p -148.14 123.33 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 21.7 p90 -130.38 145.83 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 40.34 -118.99 1.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.33 33.78 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -131.87 130.57 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -113.54 147.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -111.68 118.51 35.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.9 mt -97.04 147.19 24.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.61 115.04 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.73 ' CD2' HG21 ' A' ' 91' ' ' VAL . 46.3 p90 -131.36 152.3 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.011 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 6.9 p -97.47 157.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.5 29.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.747 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.94 119.81 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -89.54 -6.32 56.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 45' ' ' GLY . 10.5 t70 -116.26 -43.58 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.2 t70 69.53 -60.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ASP . . . 109.4 -92.48 0.71 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 13' ' ' GLN . 1.9 m120 -140.39 -49.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 0.716 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.16 125.36 29.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.41 137.06 54.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.747 HD13 ' HG2' ' A' ' 41' ' ' PRO . 5.3 mp -82.84 124.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -87.64 -51.63 5.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 -153.46 6.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -152.05 119.6 6.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 0.723 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 68' ' ' ILE . 17.8 m -87.74 142.29 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.72 155.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -149.07 133.75 17.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' HD3' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -111.39 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.37 146.39 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' OD1' ' CE1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -100.28 168.95 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.82 28.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' CD ' ' HB2' ' A' ' 61' ' ' SER . 0.0 OUTLIER -100.48 -34.86 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -169.54 31.96 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 0.0 110.047 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' SER . 24.7 ttm 34.39 55.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.11 112.7 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 86.0 m95 -91.68 118.44 30.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.97 117.34 26.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.2 m -38.16 109.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HD3' ' A' ' 56' ' ' LYS . 9.5 t -86.99 -48.44 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -150.82 137.72 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 mt-10 -110.29 138.0 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 2.5 p80 40.51 75.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.56 -165.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.86 -72.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 165.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.398 1.061 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.434 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 10.9 p -98.76 0.79 45.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.1 142.52 36.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.31 33.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.5 m -117.0 106.38 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 mm -73.8 142.01 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -131.38 177.34 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.8 59.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.51 140.18 50.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.7 129.25 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 HG22 ' A' ' 112' ' ' ILE . 26.1 mt -70.83 122.3 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.89 48.73 1.06 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -170.83 160.69 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.53 163.11 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE1' ' OD1' ' A' ' 58' ' ' ASP . 92.9 m-85 -147.64 153.08 38.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 34.6 m-85 -114.51 152.4 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 4.6 m-85 -145.65 156.24 43.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 ptt180 -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.79 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 71.5 t -99.05 147.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.364 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' HB3' HD12 ' A' ' 99' ' ' LEU . 77.5 m-85 -112.17 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.2 m -126.07 91.11 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.98 148.92 48.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.532 ' ND2' ' CD ' ' A' ' 18' ' ' PRO . 2.9 p-10 -167.44 176.47 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.74 24.58 2.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -122.67 -50.17 1.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . 161.41 151.0 6.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -51.55 159.73 0.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 p -72.39 132.13 43.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -37.1 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.82 154.59 51.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 91' ' ' VAL . . . -128.35 153.98 46.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.42 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.3 m -77.52 99.99 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.3 ttp -78.88 144.77 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.546 HG21 HD11 ' A' ' 26' ' ' ILE . 22.4 p -55.9 119.31 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -30.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.33 -178.4 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 p -112.05 166.5 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 115.69 27.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.8 t -101.1 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' GLY . 40.7 mm -78.89 124.38 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -127.41 3.15 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 56.91 24.75 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.72 111.96 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.64 120.08 5.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -120.76 -175.29 3.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.732 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 118' ' ' ILE . 1.7 mt -119.68 89.89 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -90.42 21.56 3.84 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.083 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -174.48 164.25 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.582 0.813 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.41 167.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.07 -145.01 9.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.64 141.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -176.99 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.6 177.35 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.41 -62.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 67.59 160.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.69 137.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ILE . 6.2 t0 176.32 134.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . 55.5 mt 37.27 88.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -110.93 109.95 20.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.06 101.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 pt -60.93 136.28 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.0 164.85 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -63.25 146.89 95.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -19.19 18.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . 83.79 179.55 52.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 173.99 13.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.76 28.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.752 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -43.11 -60.73 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 160.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.903 ' N ' HD13 ' A' ' 23' ' ' ILE . 53.7 t -134.5 115.79 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' THR . 3.3 ptpt -127.63 167.79 15.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.3 mt -110.37 110.21 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -45.63 -45.59 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.498 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 0.5 OUTLIER 176.24 178.61 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 HD13 ' A' ' 112' ' ' ILE . 2.7 p -147.21 122.99 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 22.9 p90 -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 107.999 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' ILE . . . 37.22 -119.57 0.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -106.37 39.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -139.37 131.74 28.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG22 ' CG2' ' A' ' 29' ' ' VAL . 2.2 t -116.53 149.99 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -115.2 120.57 40.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD21 ' CD1' ' A' ' 89' ' ' PHE . 22.6 mt -103.63 146.87 27.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.3 p -149.43 113.18 5.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.387 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.508 ' CZ2' ' C ' ' A' ' 74' ' ' THR . 35.4 p90 -119.32 151.67 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.05 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.537 ' CG2' HG22 ' A' ' 23' ' ' ILE . 20.4 p -92.33 161.39 32.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 162.14 37.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.578 1.83 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.87 31.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -5.86 40.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.3 t0 -140.33 99.82 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HD11 ' A' ' 49' ' ' ILE . 9.7 m-20 -39.87 -65.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.53 144.0 11.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -80.56 2.36 25.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -94.65 -7.4 40.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 60.59 120.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 49' ' ' ILE . 4.1 mp -70.6 86.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -49.22 -49.6 42.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -170.39 -134.4 1.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 51' ' ' GLY . 29.9 m-85 -166.97 128.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 0.787 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.596 ' HB ' HD12 ' A' ' 99' ' ' LEU . 4.1 m -95.04 121.13 36.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.641 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.3 mt -107.73 142.71 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -141.09 137.05 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -113.99 150.86 33.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.118 . . . . 0.0 109.222 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 64' ' ' TRP . . . -151.11 122.19 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.51 168.28 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 10.17 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -76.53 -49.38 16.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -147.09 19.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HE2' ' CZ2' ' A' ' 64' ' ' TRP . 0.7 OUTLIER 37.22 48.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -90.52 130.48 36.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 11.6 m95 -105.26 130.1 53.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -137.67 44.29 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 67' ' ' VAL . 16.0 m 55.49 166.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 66' ' ' THR . 2.6 t -151.25 -44.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.641 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -146.71 148.66 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -144.65 135.51 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 72.05 61.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.681 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -111.32 124.18 51.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -81.26 -41.6 21.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.598 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.29 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.508 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 2.3 p -137.17 19.39 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.598 ' O ' ' CE2' ' A' ' 71' ' ' TYR . 2.1 p -138.35 154.5 48.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.075 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.48 162.37 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 83.5 m -132.73 102.2 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 89' ' ' PHE . 4.4 mm -73.96 158.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -139.86 -172.13 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 39.05 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' A' ' 87' ' ' TYR . 65.8 mt -129.9 148.59 51.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 85' ' ' ASN . 1.9 p -86.44 133.94 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.781 HG23 ' HA ' ' A' ' 113' ' ' ALA . 88.8 mt -79.77 120.07 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.63 7.33 34.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.843 ' HB2' HG13 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -120.96 167.49 12.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -110.68 168.01 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.17 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.687 ' OH ' HG12 ' A' ' 82' ' ' VAL . 48.2 m-85 -152.75 147.54 26.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -119.89 137.47 54.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 78' ' ' ILE . 15.5 m-85 -129.72 159.32 36.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -153.51 143.3 21.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG21 ' CD2' ' A' ' 38' ' ' TRP . 77.5 t -104.69 143.99 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 33.3 m-85 -122.3 142.98 49.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.16 125.01 33.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.606 ' HG2' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -119.25 157.74 27.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -179.39 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -175.95 -37.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.2 p -54.15 -47.66 71.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 108.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 123.25 101.49 1.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.557 1.16 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.76 HD22 ' N ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER 33.97 -148.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 0.724 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.2 p -138.4 151.29 47.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -34.37 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.22 169.13 18.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -130.13 123.39 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.7 m -58.17 98.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.6 ttm -71.02 149.53 46.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 26' ' ' ILE . 13.0 p -51.47 115.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.7 OUTLIER -39.82 -31.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 106' ' ' THR . 12.9 pt-20 -127.08 172.13 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -97.69 174.35 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.069 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -125.02 122.35 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.35 128.45 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.719 HD13 HG21 ' A' ' 29' ' ' VAL . 20.1 mm -84.37 146.5 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.781 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -166.65 141.76 4.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.544 ' HG3' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -72.42 58.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -168.9 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 39.4 91.48 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 118' ' ' ILE . 7.0 pttt -90.98 -158.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.225 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -62.02 -131.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.529 ' H ' HG22 ' A' ' 118' ' ' ILE . 3.6 t80 64.48 134.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -167.3 166.91 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.76 142.44 46.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.61 171.97 14.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.581 1.176 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.38 145.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.13 170.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.97 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.53 -145.67 12.87 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.49 -58.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 m 63.87 124.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -82.25 108.41 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -170.51 139.57 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' O ' HG22 ' A' ' 12' ' ' ILE . 80.8 mt 38.17 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -104.23 146.93 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 mt -124.55 99.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -54.73 149.59 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.33 171.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.381 1.051 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 55.56 98.57 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' CB ' HG13 ' A' ' 49' ' ' ILE . 18.4 Cg_endo -74.95 -19.15 18.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.98 169.87 45.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.8 13.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 165.3 31.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -49.66 74.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -156.92 163.55 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG12 HG22 ' A' ' 106' ' ' THR . 59.7 t -141.15 120.5 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 161.61 27.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 106' ' ' THR . 1.3 mp -100.46 101.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.48 -51.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.6 -177.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 3.6 p -140.21 121.26 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ASN . 26.3 p90 -141.03 146.84 37.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 107.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . 44.83 39.57 6.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.924 ' O ' HD12 ' A' ' 81' ' ' LEU . 19.3 mt-10 69.4 6.09 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 30' ' ' TRP . 9.2 m-80 -97.21 119.73 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.736 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -96.65 132.29 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -100.18 117.62 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 89' ' ' PHE . 24.5 mt -92.08 146.9 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.706 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -149.59 108.8 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.413 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.5 p90 -120.98 152.81 38.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.3 p -90.25 161.17 38.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.3 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -74.43 -8.06 55.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.95 93.17 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.44 -38.12 71.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 78.62 -73.26 2.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 21.8 m-80 -173.29 159.48 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.36 94.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.92 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.7 mp -41.67 113.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.35 -178.29 45.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.546 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 38.8 m-85 -126.24 129.5 49.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 99' ' ' LEU . 14.4 m -101.01 128.74 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 68' ' ' ILE . 2.7 mp -112.22 145.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -151.71 155.06 37.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.73 ' HG3' HG21 ' A' ' 67' ' ' VAL . 33.0 mtmt -111.53 158.48 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -157.77 116.19 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.6 178.31 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 17.59 6.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -58.34 3.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -152.15 24.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HE3' ' CD2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER 51.12 42.19 28.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -80.02 133.27 36.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 54.0 m95 -112.87 129.57 56.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 107.977 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -113.25 -87.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.84 145.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.73 HG21 ' HG3' ' A' ' 56' ' ' LYS . 30.8 t -128.53 -44.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 54' ' ' ILE . 1.7 tt -154.04 148.2 13.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.202 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -136.74 138.37 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.63 50.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 0.0 109.665 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -89.81 -178.83 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -139.41 -55.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.523 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 16.4 p -109.56 -0.9 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.44 148.71 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.11 130.49 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.1 m -87.58 137.7 32.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 79' ' ' THR . 37.9 mm -100.0 165.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.486 ' N ' HG22 ' A' ' 78' ' ' ILE . 5.4 p -146.05 -179.63 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.188 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 51.77 70.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 32' ' ' GLU . 46.2 mt -129.08 132.85 47.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -85.74 131.44 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 112' ' ' ILE . 96.6 mt -77.37 111.61 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.98 -33.78 2.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -102.67 157.22 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.5 OUTLIER -103.4 167.84 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 86' ' ' GLU . 57.4 m-85 -151.24 146.72 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 62' ' ' MET . 20.6 m-85 -110.91 156.25 21.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.736 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 31.6 m-85 -137.62 156.67 47.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 64' ' ' TRP . 40.0 ptt180 -152.46 133.28 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 38' ' ' TRP . 81.3 t -107.6 154.14 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 1.129 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 69.5 m-85 -130.99 -171.92 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -138.99 92.79 2.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.472 1.107 . . . . 0.0 110.063 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 94' ' ' GLU . 5.0 mm-40 -64.74 162.29 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 97' ' ' CYS . 5.3 p30 -177.64 -157.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.2 ptp -89.68 31.76 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.8 t -136.46 -58.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . 138.44 97.64 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.538 HD23 ' CB ' ' A' ' 92' ' ' PHE . 2.6 mp 30.25 -140.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.96 142.41 44.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.405 1.066 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -30.36 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.91 154.65 50.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 1.129 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -126.38 153.7 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.2 m -85.51 99.04 10.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.445 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ttp -76.74 162.34 27.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 24' ' ' VAL . 35.1 p -74.78 124.06 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -32.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 106' ' ' THR . 68.6 mt-10 -145.11 166.91 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 p -88.44 172.66 9.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.84 29.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.34 109.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 83' ' ' ILE . 26.8 mm -58.64 139.15 18.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -175.84 153.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' A' ' 83' ' ' ILE . 17.6 mtp180 -94.33 60.13 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.91 106.54 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -78.0 120.82 5.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -165.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -148.46 104.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -103.42 114.08 28.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.5 mttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t 178.49 135.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -175.9 168.03 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.7 170.7 33.04 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -142.53 165.34 27.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 110.057 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -146.19 136.5 23.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.68 -84.26 0.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.83 148.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.57 -46.54 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -132.9 137.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' ILE . 1.0 OUTLIER 176.56 149.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.764 ' CG2' HD11 ' A' ' 15' ' ' ILE . 76.9 mt 38.1 85.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' ILE . 4.8 mt-30 -125.37 153.36 43.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLN . 58.4 mt 37.22 88.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.764 HD11 ' CG2' ' A' ' 12' ' ' ILE . 29.3 mt -100.81 91.64 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -85.7 130.43 34.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 57.55 108.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.321 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -16.16 20.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.92 -173.07 44.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.81 13.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.473 1.775 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.06 42.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.9 -54.6 18.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -154.67 163.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.612 HG12 HG22 ' A' ' 106' ' ' THR . 61.7 t -140.49 115.76 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.0 OUTLIER -126.15 170.15 12.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.4 mt -112.89 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.634 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -44.64 -43.43 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 t0 172.09 177.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG21 HD13 ' A' ' 112' ' ' ILE . 2.1 p -147.47 122.72 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 14.5 p90 -129.71 147.67 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 37.46 -121.56 0.88 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -107.13 40.89 1.57 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 0.764 . . . . 0.0 110.345 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -140.09 131.56 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 t -115.17 146.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -113.42 120.23 40.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD21 ' CD2' ' A' ' 89' ' ' PHE . 23.3 mt -104.79 151.23 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.634 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -149.5 108.13 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 91' ' ' VAL . 46.6 p90 -118.93 154.07 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 p -95.8 161.05 28.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.23 23.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.531 1.806 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.679 ' HG2' HD13 ' A' ' 49' ' ' ILE . 18.3 Cg_endo -74.96 137.65 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -9.88 52.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.87 149.77 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -177.72 108.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.08 -50.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.664 ' H ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -99.11 104.13 16.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' ' HG3' ' A' ' 96' ' ' MET . . . 66.14 69.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.585 1.178 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.34 135.57 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' HG2' ' A' ' 41' ' ' PRO . 3.9 mp -55.09 113.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -69.1 -58.54 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.91 18.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -131.77 137.26 48.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -87.95 141.63 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.77 141.55 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.572 ' HA ' HG23 ' A' ' 67' ' ' VAL . 35.5 mt-30 -141.37 150.55 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.807 ' HD3' HD12 ' A' ' 78' ' ' ILE . 38.0 mtmt -121.77 158.57 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.73 157.29 34.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' OD1' ' CE2' ' A' ' 87' ' ' TYR . 1.7 m-20 -101.05 173.89 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 19.31 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -36.55 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 m -116.99 -31.01 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 84.4 mmm 62.45 15.97 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -61.11 122.35 14.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 90' ' ' ARG . 89.5 m95 -91.38 117.03 29.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 108.082 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -116.3 134.83 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.2 m -61.58 117.17 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 56' ' ' LYS . 87.9 t -88.5 -48.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -153.72 163.61 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 2.4 mt-10 -139.39 150.59 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 1.3 m-70 44.57 66.67 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.23 -174.25 5.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.078 . . . . 0.0 111.042 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.15 -73.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.646 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -61.75 -173.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 48.8 p -114.61 -4.28 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.0 143.57 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.32 128.79 10.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -76.89 137.51 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HD3' ' A' ' 56' ' ' LYS . 40.2 mm -100.27 162.0 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 ' N ' HG22 ' A' ' 78' ' ' ILE . 3.9 p -140.42 -175.65 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.429 1.08 . . . . 0.0 110.385 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 51.76 73.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -138.64 125.34 20.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.931 HG12 ' OH ' ' A' ' 87' ' ' TYR . 8.9 p -78.95 145.46 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.564 HD13 ' HB2' ' A' ' 114' ' ' ARG . 70.1 mt -87.38 99.41 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.86 -24.34 2.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.623 ' HB2' HG13 ' A' ' 82' ' ' VAL . 85.7 m-20 -104.92 165.23 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HB3' HG13 ' A' ' 111' ' ' VAL . 17.2 pm0 -124.45 157.56 34.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.931 ' OH ' HG12 ' A' ' 82' ' ' VAL . 32.3 m-85 -139.15 168.28 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -119.34 158.08 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CD2' HD21 ' A' ' 36' ' ' LEU . 32.3 m-85 -136.02 144.83 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.809 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 18.7 mtp85 -143.32 118.57 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.56 HG21 ' CE3' ' A' ' 38' ' ' TRP . 91.5 t -98.97 138.38 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 103' ' ' ALA . 7.6 m-85 -117.55 175.17 5.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.4 m -115.35 130.18 56.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.99 159.75 24.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.78 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.65 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 22.4 mtt -149.34 -53.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.47 -130.3 2.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -101.06 139.24 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p -55.37 121.17 8.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.8 -48.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.2 149.9 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.185 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.809 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . . . -123.57 140.58 52.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -82.61 102.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.15 140.35 35.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.612 HG22 HG12 ' A' ' 24' ' ' VAL . 22.6 p -45.83 124.26 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.11 -35.07 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.45 165.45 19.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -92.11 172.4 8.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.8 116.57 29.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -105.79 108.89 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.476 HD13 HG21 ' A' ' 29' ' ' VAL . 13.1 mm -58.47 120.26 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.41 6.4 4.85 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.564 ' HB2' HD13 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 60.54 18.78 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.199 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -160.85 137.59 8.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -117.06 159.67 13.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -109.99 173.11 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.9 mt -129.01 109.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.082 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -129.86 139.47 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -159.93 146.46 16.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -165.14 170.75 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.047 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.09 -145.83 9.75 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m 62.24 137.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.539 0.788 . . . . 0.0 110.059 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -173.97 158.65 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.95 142.68 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.96 162.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.787 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.51 90.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.964 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.18 62.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 40.35 66.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.541 ' O ' HD11 ' A' ' 15' ' ' ILE . 90.4 mt -84.09 86.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' ILE . 10.4 mt-30 -100.18 170.47 8.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.627 ' O ' HG22 ' A' ' 14' ' ' ILE . 70.1 mt 38.25 75.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.0 mp -74.98 -31.16 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ARG . 0.3 OUTLIER 53.86 -170.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 1.7 mtt180 -37.37 130.58 0.81 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -14.47 21.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.75 -152.44 49.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.48 24.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -60.91 -43.35 98.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.743 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -168.24 160.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.743 ' N ' HD13 ' A' ' 23' ' ' ILE . 67.5 t -136.84 112.95 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.5 OUTLIER -121.32 172.75 7.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.6 mt -114.97 109.15 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.571 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -47.31 -46.55 25.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' A' ' 35' ' ' ALA . 2.0 t0 174.38 179.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 HD13 ' A' ' 112' ' ' ILE . 1.6 p -147.01 129.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.4 p90 -134.84 151.25 50.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.62 -118.65 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -110.41 34.24 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -131.1 150.83 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 29' ' ' VAL . 2.1 t -130.04 152.41 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -119.23 118.58 31.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mt -101.96 152.23 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.571 HG21 ' CG ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -149.55 107.81 3.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.43 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 74' ' ' THR . 45.9 p90 -114.81 161.06 18.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' HG22 ' A' ' 23' ' ' ILE . 15.6 p -103.48 159.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.23 23.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.419 1.747 . . . . 0.0 111.041 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.77 35.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -77.35 -7.72 56.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.41 164.06 21.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 175.58 108.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.368 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.11 -58.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 1.1 m-80 -88.05 102.24 14.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 46' ' ' ASN . . . 72.6 97.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.221 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.29 41.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.94 97.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 m -44.08 -43.94 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . 179.35 -156.36 18.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 6.1 m-85 -143.15 114.11 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -81.91 134.48 35.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.497 HD11 ' CH2' ' A' ' 38' ' ' TRP . 3.3 mt -116.42 142.03 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -142.86 141.32 31.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -114.39 158.14 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.587 1.18 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.27 161.99 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.41 177.85 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.29 18.82 5.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -58.46 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -149.4 20.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 99.1 mmm 56.97 36.95 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.91 128.62 36.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 73.6 m95 -107.92 132.73 53.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.062 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.7 OUTLIER -131.53 117.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 98.3 m -37.58 123.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 -45.76 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -155.1 135.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 1.2 mm-40 -125.79 139.26 53.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 6.3 m-70 64.95 55.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.638 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -85.42 -165.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -140.98 -70.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.559 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 173.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.517 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 38.7 p -106.93 6.87 29.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.33 146.34 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.23 133.75 14.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.3 m -82.52 130.19 35.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 79' ' ' THR . 3.9 mm -99.28 166.15 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 ' N ' HG22 ' A' ' 78' ' ' ILE . 9.0 t -155.21 -152.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 79' ' ' THR . 0.5 OUTLIER 48.85 42.69 20.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.51 HD22 ' CD1' ' A' ' 87' ' ' TYR . 96.7 mt -107.11 142.82 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.93 108.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 114' ' ' ARG . 17.4 mt -42.49 148.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.06 52.78 5.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -175.04 163.84 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -120.68 141.02 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD1' HD22 ' A' ' 81' ' ' LEU . 40.1 m-85 -129.11 155.93 44.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 37.0 m-85 -109.99 174.88 5.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 52.2 m-85 -159.79 142.53 13.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -141.93 121.08 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.714 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 94.7 t -97.24 132.57 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.973 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 19.8 m-85 -103.92 -172.26 2.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 m -129.64 97.6 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.944 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.72 157.27 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 9.5 p-10 172.78 -174.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.6 mmt -47.79 -43.98 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -76.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.34 -124.4 1.16 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.1 mm? -97.86 129.16 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 0.757 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 102' ' ' ASP . 9.3 p -44.62 147.77 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -29.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 100' ' ' SER . 25.1 t70 -162.82 171.82 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.973 ' HB2' ' CD1' ' A' ' 92' ' ' PHE . . . -125.42 146.79 49.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.545 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -74.16 104.78 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 ttp -81.23 138.87 35.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.588 HG21 HD11 ' A' ' 26' ' ' ILE . 19.6 p -50.64 121.67 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -33.48 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -131.2 -178.71 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 94.4 p -107.8 165.29 11.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.49 116.25 29.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.75 122.15 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.196 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.666 HD13 HG21 ' A' ' 29' ' ' VAL . 29.9 mm -75.35 138.81 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' ARG . . . -132.63 8.75 4.22 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.483 ' HB3' HD13 ' A' ' 83' ' ' ILE . 22.8 ptt180 35.31 71.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -169.3 168.48 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.43 77.43 0.23 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 178.45 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.691 HG23 ' N ' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -82.55 -166.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.691 ' N ' HG23 ' A' ' 118' ' ' ILE . 10.2 m-85 -88.54 34.11 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 p -147.54 110.27 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 109.965 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.73 140.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.17 98.46 0.2 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.09 78.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.773 . . . . 0.0 110.013 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.1 160.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 119.79 2.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.7 129.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.08 123.01 38.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ASP . 3.7 pt -100.86 100.84 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' ILE . 17.2 m-20 59.83 154.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.409 1.068 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' O ' HG22 ' A' ' 12' ' ' ILE . 90.0 mt -68.12 81.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -129.68 110.66 11.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.545 HG22 ' H ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -124.33 -148.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' H ' HG22 ' A' ' 14' ' ' ILE . 1.5 pt -82.93 157.18 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' OD2' ' ND2' ' A' ' 46' ' ' ASN . 2.7 p30 174.06 142.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 15.9 mtm-85 -39.16 138.2 0.89 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' ND2' ' A' ' 95' ' ' ASN . 18.5 Cg_endo -74.91 -16.46 20.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.566 1.824 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 -172.02 41.33 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.85 13.8 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.12 33.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.449 1.762 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.34 -56.88 16.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -152.18 158.51 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' O ' HG22 ' A' ' 106' ' ' THR . 36.7 t -138.38 115.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.26 174.81 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -114.47 107.63 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.766 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.3 OUTLIER -45.07 -48.17 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 178.37 177.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.4 1.062 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.618 ' HB ' HG22 ' A' ' 34' ' ' VAL . 1.4 p -145.48 122.74 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 27.1 p90 -127.09 131.47 50.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 45.78 -115.56 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -108.02 33.57 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' HB2' ' CE2' ' A' ' 30' ' ' TRP . 6.0 m-80 -133.04 130.35 39.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.5 t -117.86 149.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . . . -117.2 115.6 25.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 26' ' ' ILE . 6.5 mt -98.92 153.14 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.766 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -150.24 106.94 3.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.606 ' CD1' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -117.57 149.91 39.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 23' ' ' ILE . 14.0 p -95.88 156.92 36.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.82 15.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.78 41.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -81.68 -7.7 59.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.73 -75.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 15.8 t0 45.29 78.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.26 -46.49 0.06 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.419 ' ND2' ' OD2' ' A' ' 16' ' ' ASP . 7.4 m120 -60.29 -59.22 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.5 104.02 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.14 114.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 44' ' ' ASP . 2.6 mp -68.95 93.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 p -55.07 -49.17 72.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 52' ' ' TYR . . . -163.26 -148.73 5.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.08 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 3.9 m-85 -154.19 122.53 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.4 0.706 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 96.8 m -87.11 130.44 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 68' ' ' ILE . 2.7 mp -113.69 140.94 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.555 ' HA ' HG23 ' A' ' 67' ' ' VAL . 35.9 mt-30 -147.21 140.59 25.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.417 1.073 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' H ' HG23 ' A' ' 67' ' ' VAL . 31.3 pttt -114.33 167.86 10.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -157.58 125.46 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 165.12 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 24.59 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -100.37 -44.91 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' MET . 49.5 m -134.18 8.31 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.061 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' SER . 6.4 mtp 36.55 46.07 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 39.3 mt-10 -96.29 141.82 29.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.444 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 60.1 m95 -107.02 137.42 45.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -121.53 -86.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.4 112.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG23 ' HA ' ' A' ' 55' ' ' GLN . 73.6 t -88.9 -46.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.694 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -152.75 156.52 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' C ' ' CD2' ' A' ' 70' ' ' HIS . 3.5 mm-40 -134.1 142.25 47.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 69' ' ' GLU . 9.5 p80 44.79 71.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.12 -155.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -142.92 -71.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -171.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 2.7 p -116.7 -0.3 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 143.41 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.18 144.75 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 71.8 m -95.12 135.86 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.27 142.75 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -122.82 171.87 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 59.6 66.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.337 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.1 mt -129.99 127.73 40.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.895 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.7 p -79.73 140.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.727 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.6 mt -82.28 101.43 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.92 -27.08 2.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.716 ' HB2' HG13 ' A' ' 82' ' ' VAL . 87.4 m-20 -99.21 154.71 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 153.61 23.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 110.382 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.895 ' OH ' HG12 ' A' ' 82' ' ' VAL . 92.0 m-85 -139.41 154.17 47.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 22.7 m-85 -108.48 172.17 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.734 ' CD1' HD11 ' A' ' 36' ' ' LEU . 30.4 m-85 -154.06 142.24 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 90' ' ' ARG . 29.6 ptt180 -141.35 119.86 12.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 38' ' ' TRP . 96.5 t -97.06 141.88 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.627 ' CE1' ' HB2' ' A' ' 103' ' ' ALA . 37.4 m-85 -113.24 -171.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -128.46 97.97 4.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 155.75 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p-10 176.82 -176.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -25.81 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -66.62 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.7 -132.71 2.76 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.6 mm? -102.89 135.0 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 t -43.21 136.93 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.55 -40.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.0 172.79 12.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.627 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -131.54 129.52 41.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.6 m -66.21 100.99 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 2.9 tmm? -80.39 151.24 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 24' ' ' VAL . 32.6 p -81.18 101.8 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -22.5 66.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.52 -35.21 46.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t 65.08 171.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 110.003 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -119.64 116.05 25.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 t -94.03 102.89 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 83' ' ' ILE . 12.1 mm -52.68 146.98 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.075 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.727 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . 176.37 140.09 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 54.97 1.67 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -100.15 178.95 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.77 45.49 0.1 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.921 ' O ' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -141.11 105.94 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.921 HG22 ' O ' ' A' ' 117' ' ' LYS . 4.4 tt 59.18 142.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -134.9 123.17 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -148.72 89.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.61 149.65 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.18 70.72 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -141.57 167.99 20.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 109.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 p -176.8 148.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.73 -134.22 11.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.31 160.84 37.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.78 108.41 14.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 mt -113.76 72.3 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ILE . 12.0 t0 -141.3 140.56 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 12' ' ' ILE . 74.6 mt 38.75 78.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -102.13 114.83 29.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mm -78.99 83.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.564 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -54.87 -37.13 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 178.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -47.54 145.68 4.02 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.248 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CG ' ' ND2' ' A' ' 95' ' ' ASN . 18.3 Cg_endo -74.98 173.99 13.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.547 1.814 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.75 -165.64 26.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.419 1.074 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.1 42.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.49 -42.93 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.5 HG22 ' CG2' ' A' ' 39' ' ' THR . 0.0 OUTLIER -171.99 163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 104' ' ' THR . 78.0 t -140.14 119.65 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.212 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 1.7 mtmt -128.42 170.99 12.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.158 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.67 HG23 ' O ' ' A' ' 35' ' ' ALA . 4.1 mt -116.33 103.46 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 0.0 109.237 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.765 ' HG3' HG21 ' A' ' 37' ' ' THR . 0.2 OUTLIER -38.84 -46.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 171.63 178.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 112' ' ' ILE . 2.5 p -148.01 122.31 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 35' ' ' ALA . 11.0 p90 -129.61 153.91 47.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' TRP . . . 35.76 -120.28 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 79' ' ' THR . 35.4 mt-10 -110.89 44.63 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.803 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -143.36 137.46 28.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' A' ' 81' ' ' LEU . 1.9 t -117.82 147.03 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -116.51 117.33 29.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.0 mt -104.49 152.15 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.765 HG21 ' HG3' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -149.82 110.64 4.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.786 ' CD1' HG11 ' A' ' 91' ' ' VAL . 33.5 p90 -118.9 150.48 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.061 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.5 ' CG2' HG22 ' A' ' 23' ' ' ILE . 41.7 p -95.8 160.37 30.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.77 30.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.529 1.805 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 138.47 23.27 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -82.92 -9.34 59.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.372 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -83.15 -85.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.1 t0 43.69 64.02 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.52 54.49 0.72 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p30 175.73 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.51 -178.19 4.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.569 ' C ' HD12 ' A' ' 49' ' ' ILE . . . -117.89 15.81 14.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD12 ' C ' ' A' ' 48' ' ' ALA . 2.8 mp 46.37 79.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.6 p -39.03 -46.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.9 -159.87 16.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -136.51 122.46 20.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -81.78 156.37 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 68' ' ' ILE . 3.1 mt -134.77 156.36 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -156.25 131.04 9.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.797 ' HZ1' HD11 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -117.9 156.58 28.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' GLU . . . -154.75 144.44 21.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 0.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.23 165.14 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.38 26.32 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -40.94 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -117.55 -23.19 7.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.3 mtp 60.84 24.71 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 53.0 mt-10 -79.49 138.37 37.53 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 90' ' ' ARG . 78.4 m95 -107.89 129.3 55.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 65' ' ' PHE . 47.0 p90 -134.41 119.66 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 69' ' ' GLU . 92.4 m -38.52 118.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.411 HG21 ' HD2' ' A' ' 56' ' ' LYS . 2.4 t -94.46 -35.96 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.585 ' CG2' HD12 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -157.44 157.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 66' ' ' THR . 5.8 mt-10 -144.44 152.88 41.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 70' ' ' HIS . 6.4 m170 52.29 61.26 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.632 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.759 ' HE2' ' HB2' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -103.22 122.86 45.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.23 -58.41 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -53.58 -171.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.493 ' C ' ' CZ2' ' A' ' 38' ' ' TRP . 46.8 p -136.36 26.45 3.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 38' ' ' TRP . 2.0 p -151.96 155.0 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.183 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB2' ' HE2' ' A' ' 71' ' ' TYR . . . -154.35 157.89 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -114.46 106.47 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.484 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.797 HD11 ' HZ1' ' A' ' 56' ' ' LYS . 12.8 mm -79.3 159.51 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 8.8 t -143.48 -155.56 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.474 ' N ' ' OG1' ' A' ' 79' ' ' THR . 5.3 mt-10 42.96 46.95 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.589 ' CD1' HG23 ' A' ' 34' ' ' VAL . 69.7 mt -106.34 140.34 39.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.69 HG13 ' HB2' ' A' ' 85' ' ' ASN . 8.6 p -97.67 139.77 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.59 HG23 ' HA ' ' A' ' 113' ' ' ALA . 77.0 mt -84.58 101.98 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.46 -13.44 3.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.69 ' HB2' HG13 ' A' ' 82' ' ' VAL . 95.9 m-20 -115.56 155.64 27.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 167.54 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.575 ' OH ' HG12 ' A' ' 82' ' ' VAL . 97.5 m-85 -154.23 155.4 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' C ' ' CG ' ' A' ' 89' ' ' PHE . 28.4 m-85 -110.74 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.76 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.3 m-85 -158.92 149.69 19.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.8 ptt180 -157.36 132.21 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.23 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 38' ' ' TRP . 92.8 t -104.7 139.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.369 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 44.0 m-85 -103.07 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.8 m -127.34 87.87 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 142.92 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.515 ' ND2' ' CG ' ' A' ' 18' ' ' PRO . 2.6 p30 -164.82 -167.05 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.3 mtt -57.96 -45.59 86.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.7 m -61.24 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.254 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.47 -124.8 0.83 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 99' ' ' LEU . 3.7 mm? -102.18 163.74 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.766 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 p -79.83 137.12 36.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.946 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -33.89 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -137.84 157.22 46.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.52 149.75 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 24' ' ' VAL . 1.2 m -78.64 102.34 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.77 134.44 33.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.659 HG21 HD11 ' A' ' 26' ' ' ILE . 54.6 p -45.0 120.83 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.425 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 106' ' ' THR . 0.0 OUTLIER -39.68 -30.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 106' ' ' THR . 41.0 mt-10 -133.58 175.4 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -99.44 169.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.12 115.07 28.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 t -87.02 109.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.54 HG22 HG12 ' A' ' 83' ' ' ILE . 21.8 mm -63.25 142.58 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.21 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -168.17 171.93 9.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -115.22 100.47 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -153.3 138.2 17.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.26 160.22 39.82 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -116.35 138.63 51.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 18.0 mm 50.17 97.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.67 ' N ' ' CD1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -121.06 0.27 10.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.44 87.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -63.42 102.82 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.1 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.12 -97.61 0.52 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 t 54.8 83.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.18 119.72 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 138.83 -98.76 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 72.03 -80.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -57.76 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt 69.08 107.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 149.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 99.4 mt -79.05 84.16 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ILE . 49.4 mt-30 -96.9 164.4 12.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLN . 61.6 mt 37.43 89.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 45' ' ' GLY . 35.2 mt -92.91 134.3 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -47.48 173.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 156.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' CG ' ' OD1' ' A' ' 95' ' ' ASN . 18.1 Cg_endo -75.04 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.395 1.734 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.64 -170.97 13.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.65 14.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.44 24.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' HB2' ' OG1' ' A' ' 39' ' ' THR . 17.1 mt-30 -38.08 -51.23 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.613 HD13 ' N ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -158.09 161.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' ILE . 22.2 t -137.52 118.35 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.4 OUTLIER -126.53 170.82 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 35' ' ' ALA . 3.9 mt -114.71 109.81 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' CG ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -46.46 -42.74 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.23 179.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 HD13 ' A' ' 112' ' ' ILE . 2.2 p -147.41 122.66 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 38.4 p90 -133.91 157.93 44.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 107.922 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.6 -122.1 1.24 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.69 43.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 30' ' ' TRP . 3.3 p30 -142.01 146.88 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.7 HG11 ' CZ ' ' A' ' 89' ' ' PHE . 1.4 t -122.83 138.78 51.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 26' ' ' ILE . . . -104.69 117.37 33.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 ' CD1' ' A' ' 89' ' ' PHE . 9.1 mt -103.42 152.57 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.567 HG21 ' CG ' ' A' ' 27' ' ' GLU . 1.1 p -149.8 109.71 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 74' ' ' THR . 43.9 p90 -118.07 148.08 42.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.518 ' CG2' HG22 ' A' ' 23' ' ' ILE . 48.1 p -91.36 160.84 36.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 156.88 42.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 154.16 41.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -93.57 -29.12 15.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.65 79.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -42.89 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.752 ' O ' HD12 ' A' ' 15' ' ' ILE . . . 104.72 -91.83 0.81 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' H ' ' A' ' 15' ' ' ILE . 26.4 t-20 -177.46 37.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 95' ' ' ASN . . . -138.11 12.96 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.1 19.79 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.5 mm 50.96 83.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.5 m -49.39 -61.55 2.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.47 -156.9 9.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -139.03 150.28 45.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 68' ' ' ILE . 75.7 m -110.53 140.88 44.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.92 147.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -148.52 132.28 16.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HD3' HG22 ' A' ' 67' ' ' VAL . 9.6 pttt -111.03 154.55 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB2' ' CE3' ' A' ' 64' ' ' TRP . . . -149.8 168.21 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.538 ' CG ' ' CE1' ' A' ' 87' ' ' TYR . 1.9 t0 -124.77 176.36 6.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 18.86 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -80.15 -52.38 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -155.56 24.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.9 mmm 51.15 36.97 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.12 131.26 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.225 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 57' ' ' ALA . 85.7 m95 -103.83 130.93 51.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.45 107.58 10.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -38.89 113.13 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG22 ' HD3' ' A' ' 56' ' ' LYS . 46.4 t -83.82 -42.69 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -159.45 167.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.3 mm-40 -139.71 146.66 39.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 69' ' ' GLU . 3.8 m-70 47.67 67.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.92 177.9 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.95 -67.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 171.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 23.7 p -110.6 10.57 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.26 144.33 36.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.72 135.01 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.4 m -88.62 130.1 35.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 79' ' ' THR . 6.6 mm -92.06 162.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 80' ' ' GLU . 1.2 t -136.14 -173.74 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.581 ' N ' ' OG1' ' A' ' 79' ' ' THR . 23.9 mt-10 55.39 54.29 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 87' ' ' TYR . 70.7 mt -117.69 132.57 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.855 HG12 ' OH ' ' A' ' 87' ' ' TYR . 7.4 p -92.82 140.44 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 113' ' ' ALA . 83.1 mt -81.23 100.49 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.71 -34.0 1.72 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.644 ' HB2' HG13 ' A' ' 82' ' ' VAL . 86.7 m-20 -95.4 160.56 14.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.538 ' HG2' HG22 ' A' ' 111' ' ' VAL . 21.6 mt-10 -105.17 167.71 9.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.855 ' OH ' HG12 ' A' ' 82' ' ' VAL . 96.7 m-85 -152.4 151.01 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 32.2 m-85 -110.12 177.95 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.083 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.721 ' CD1' HD11 ' A' ' 36' ' ' LEU . 48.7 m-85 -160.16 155.84 25.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.593 1.183 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' NH2' ' NE1' ' A' ' 64' ' ' TRP . 52.8 mtm180 -156.96 125.46 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 38' ' ' TRP . 91.4 t -101.83 129.5 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 10.5 m-85 -116.32 128.98 56.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.4 m -68.72 149.26 49.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.3 165.39 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -159.73 -67.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.31 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.6 m -59.24 -54.48 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 108.278 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.47 -141.71 6.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.39 172.17 8.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.0 p -80.42 130.96 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.974 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.32 -42.15 30.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.78 152.72 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . . . -129.59 145.96 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 24' ' ' VAL . 55.2 m -95.64 106.51 18.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.421 ' HG2' ' N ' ' A' ' 106' ' ' THR . 0.2 OUTLIER -88.82 146.65 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 105' ' ' MET . 40.6 p -52.49 124.31 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -29.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' THR . 12.2 mt-10 -140.99 164.06 31.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.6 p -85.17 173.08 10.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 116.81 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.538 HG22 ' HG2' ' A' ' 86' ' ' GLU . 41.6 t -87.2 117.29 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.658 HD13 HG21 ' A' ' 29' ' ' VAL . 31.1 mm -71.19 144.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.207 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 83' ' ' ILE . . . -176.1 153.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.58 95.62 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.255 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -173.12 169.19 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.69 -152.42 28.85 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.749 ' O ' HG22 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.81 151.82 50.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 117' ' ' LYS . 0.2 OUTLIER 87.77 142.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.34 19.04 20.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.439 ' H ' HG23 ' A' ' 118' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 stop_ save_